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EC number: 272-205-5 | CAS number: 68783-65-3 A complex combination of hydrocarbons obtained by subjecting a petroleum distillate to a sweetening process to convert mercaptans or to remove acidic impurities. It consists predominantly of saturated and unsaturated hydrocarbons having carbon numbers predominantly in the range of C2 through C4 and boiling in the range of approximately -51°C to -34°C (-60°F to -30°F).
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://www.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: sediment simulation testing
- Data waiving:
- other justification
- Justification for data waiving:
- the study does not need to be conducted because the substance is readily biodegradable
- Transformation products:
- no
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Non-GLP non-guideline experimental study, published in peer reviewed literature, predates implementation of GLP and/or development of study guidelines but otherwise acceptable for assessment.
- Principles of method if other than guideline:
- Gas exchange-biodegradation experiments conducted in model estuarine ecosystem.
- GLP compliance:
- no
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material:
No data reported - Radiolabelling:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- natural water
- Details on source and properties of surface water:
- Model esturaine ecosystem (replicates the gross features of Narrangansett Bay biological community and nutrient levels).
- Details on source and properties of sediment:
- Model esturaine ecosystem (replicates the gross features of Narrangansett Bay biological community and nutrient levels).
- Details on inoculum:
- No data reported
- Duration of test (contact time):
- 633 h
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Details on study design:
- Gas-exchange-biodegradation experiments were conducted using model estuarine ecosystems comprised of materials from Naragansett Bay. The first experiment was conducted in batch mode at 20°C without the presence of sediments and the second experiment was carried out in flow-through mode at 10°C with an average water exchange rate of 3.7% per day. The losses due to gas exchange in experiment 1 and to gas exchange and water outflow in experiment 2 were compensated for using radon as a conservative marker gas. Radon does not undergo biodegradation and radioactive decay was compensated for in the calculations. Hydrocarbons were introduced to the ecosystem experiment by addition to an inverted container suspended in the water tank, thereby creating a trapped gas pocket. Water was circulated through the gas pocket for about 12 hours using a pump and the container was then removed. A 232radon spike was introduced to the tank by adding 2% tapwater which had about 1000 times the radon content of the Naragansett Bay water. The decrease in concentration with time of the gases was monitored.
In both experiments, samples for hydrocarbon analysis were collected by siphon from 50 cm below the surface of the water; tests had shown that no concentration gradients were present in the water column. The samples were equilibrated at a controlled temperature (22.5°C) with a known volume of headspace in a sealed vial and a sample of the headspace was analysed using GC-FID. Radon samples were collected by drawing water from a depth of 50cm into pre-evacuated bottles, analysed and the results corrected for blanks, natural backgrounds, ingrowth and decay. - Reference substance:
- other: Radon (222Rn) to compensate for outflow and gas exchange
- Test performance:
- In the study with just marine water, isobutane showed evidence of degradation with half-times of 16 to 26 days. Samples from later in the experiment showed much more rapid biodegradation, which the authors interpret as resulting from adjustment of the bacterial populations to the availability of the substances.
In the study with marine water and sediment, isobutane showed evidence of degradation from test initiation, with half-lives of 33 to 139 days. The slower rates of degradation compared to experiment 1 are thought to result from the lower temperature (10°C as opposed to 20°C). A lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, isobtane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow. - Compartment:
- natural water: marine
- DT50:
- 16 - 26 d
- Type:
- (pseudo-)first order (= half-life)
- Temp.:
- 20 °C
- Compartment:
- other: Marine water and sediment model
- DT50:
- 33 - 139 d
- Type:
- (pseudo-)first order (= half-life)
- Temp.:
- 10 °C
- Transformation products:
- not specified
- Details on transformation products:
- No data reported
- Evaporation of parent compound:
- not specified
- Volatile metabolites:
- not specified
- Residues:
- not specified
- Details on results:
- Experiment 1
Observed rate constant in days-1 (± 1 SD): 0.061 ± 0.005
Rate constant in days-1 predicted for gas exchange at z=560 µM: 0.026
Predicted rate constant for degradation (observed - gas exchange) in days-1 (± 1 SD): 0.035 ± 0.008
Experiment 2
Observed rate constant in days-1 (± 1 SD): 0.030 ± 0.006
Rate constant in days-1 predicted for gas exchange at z=600 µM: 0.017
Predicted rate constant for degradation (observed - gas exchange) in days-1 (± 1 SD): 0.013 ± 0.008 - Results with reference substance:
- Radon (222Rn) is a non-degradable gas used to compensate for outflow and gas exchange
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Non-standard method
- Conclusions:
- The half-life in marine water was reported as 16 to 26 days, while the half-life in the marine water and sediment model was reported as 33 to 139 days.
- Executive summary:
Experimental data are available on the persistence of the substances in marine water and marine water and sediment systems (Bopp et al. 1981). The study is a non-GLP, non-guideline study but is well described and is considered reliable and suitable for use for this endpoint. Gas exchange-biodegradation experiments conducted in model estuarine ecosystem shows that members of the category are not expected to be persistent.
In the study with just marine water, isobutane showed evidence of degradation with half-times of 16 to 26 days. Samples from later in the experiment showed much more rapid biodegradation, which the authors interpret as resulting from adjustment of the bacterial populations to the availability of the substances.
In the study with marine water and sediment, isobutane showed slow initial degradation, with a half life of 33 to 139 days. A lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, isobuane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow and was degraded completely within about 3 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Non-GLP non-guideline experimental study, published in peer reviewed literature, predates implementation of GLP and/or development of study guidelines but otherwise acceptable for assessment.
- Principles of method if other than guideline:
- Gas exchange-biodegradation experiments conducted in model estuarine ecosystem.
- GLP compliance:
- no
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material:
No data reported - Radiolabelling:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- natural water
- Details on source and properties of surface water:
- Model esturaine ecosystem (replicates the gross features of Narrangansett Bay biological community and nutrient levels).
- Details on source and properties of sediment:
- Model esturaine ecosystem (replicates the gross features of Narrangansett Bay biological community and nutrient levels).
- Details on inoculum:
- No data reported
- Duration of test (contact time):
- 633 h
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Details on study design:
- Gas-exchange-biodegradation experiments were conducted using model estuarine ecosystems comprised of materials from Naragansett Bay. The first experiment was conducted in batch mode at 20°C without the presence of sediments and the second experiment was carried out in flow-through mode at 10°C with an average water exchange rate of 3.7% per day. The losses due to gas exchange in experiment 1 and to gas exchange and water outflow in experiment 2 were compensated for using radon as a conservative marker gas. Radon does not undergo biodegradation and radioactive decay was compensated for in the calculations. Hydrocarbons were introduced to the ecosystem experiment by addition to an inverted container suspended in the water tank, thereby creating a trapped gas pocket. Water was circulated through the gas pocket for about 12 hours using a pump and the container was then removed. A 232radon spike was introduced to the tank by adding 2% tapwater which had about 1000 times the radon content of the Naragansett Bay water. The decrease in concentration with time of the gases was monitored.
In both experiments, samples for hydrocarbon analysis were collected by siphon from 50 cm below the surface of the water; tests had shown that no concentration gradients were present in the water column. The samples were equilibrated at a controlled temperature (22.5°C) with a known volume of headspace in a sealed vial and a sample of the headspace was analysed using GC-FID. Radon samples were collected by drawing water from a depth of 50cm into pre-evacuated bottles, analysed and the results corrected for blanks, natural backgrounds, ingrowth and decay. - Reference substance:
- other: Radon (222Rn) to compensate for outflow and gas exchange
- Test performance:
- In the study with marine water and sediment, butane showed evidence of degradation from test initiation, with half-lives of 18 to 29 days. A lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, butane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow.
- Compartment:
- other: Marine water and sediment model
- DT50:
- 18 - 29 d
- Type:
- (pseudo-)first order (= half-life)
- Temp.:
- 10 °C
- Transformation products:
- not specified
- Details on transformation products:
- No data reported
- Evaporation of parent compound:
- not specified
- Volatile metabolites:
- not specified
- Residues:
- not specified
- Details on results:
- Experiment 2
Observed rate constant in days-1 (± 1 SD): 0.049 ± 0.005
Rate constant in days-1 predicted for gas exchange at z=600 µM: 0.018
Predicted rate constant for degradation (observed - gas exchange) in days-1 (± 1 SD): 0.031 ± 0.007 - Results with reference substance:
- Radon (222Rn) is a non-degradable gas used to compensate for outflow and gas exchange
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Non-standard method
- Conclusions:
- The half-life in the half-life in the marine water and sediment model was reported as 18 to 29 days.
- Executive summary:
Experimental data are available on the persistence of the substances in marine water and sediment systems (Bopp et al. 1981). The study is a non-GLP, non-guideline study but is well described and is considered reliable and suitable for use for this endpoint. Gas exchange-biodegradation experiments conducted in model estuarine ecosystem shows that members of the category are not expected to be persistent.
In the study with marine water and sediment, butane showed slow initial degradation, with a half life of 18 to 29 days. A lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, butane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow and was degraded completely within about 3 days.
Experimental data are available on the persistence of the substances in marine water and marine water and sediment systems (Bopp et al. 1981). The study is a non-GLP, non-guideline study but is well described and is considered reliable and suitable for use for this endpoint. Gas exchange-biodegradation experiments conducted in model estuarine ecosystem shows that members of the category are not expected to be persistent.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Non-GLP non-guideline experimental study, published in peer reviewed literature, predates implementation of GLP and/or development of study guidelines but otherwise acceptable for assessment.
- Principles of method if other than guideline:
- Gas exchange-biodegradation experiments conducted in model estuarine ecosystem.
- GLP compliance:
- no
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material:
No data reported - Radiolabelling:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- natural water
- Details on source and properties of surface water:
- Model esturaine ecosystem (replicates the gross features of Narrangansett Bay biological community and nutrient levels).
- Details on source and properties of sediment:
- Model esturaine ecosystem (replicates the gross features of Narrangansett Bay biological community and nutrient levels).
- Details on inoculum:
- No data reported
- Duration of test (contact time):
- 633 h
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Details on study design:
- Gas-exchange-biodegradation experiments were conducted using model estuarine ecosystems comprised of materials from Naragansett Bay. The first experiment was conducted in batch mode at 20°C without the presence of sediments and the second experiment was carried out in flow-through mode at 10°C with an average water exchange rate of 3.7% per day. The losses due to gas exchange in experiment 1 and to gas exchange and water outflow in experiment 2 were compensated for using radon as a conservative marker gas. Radon does not undergo biodegradation and radioactive decay was compensated for in the calculations. Hydrocarbons were introduced to the ecosystem experiment by addition to an inverted container suspended in the water tank, thereby creating a trapped gas pocket. Water was circulated through the gas pocket for about 12 hours using a pump and the container was then removed. A 232radon spike was introduced to the tank by adding 2% tapwater which had about 1000 times the radon content of the Naragansett Bay water. The decrease in concentration with time of the gases was monitored.
In both experiments, samples for hydrocarbon analysis were collected by siphon from 50 cm below the surface of the water; tests had shown that no concentration gradients were present in the water column. The samples were equilibrated at a controlled temperature (22.5°C) with a known volume of headspace in a sealed vial and a sample of the headspace was analysed using GC-FID. Radon samples were collected by drawing water from a depth of 50cm into pre-evacuated bottles, analysed and the results corrected for blanks, natural backgrounds, ingrowth and decay. - Reference substance:
- other: Radon (222Rn) to compensate for outflow and gas exchange
- Test performance:
- In the study with just marine water, ethane showed evidence of degradation with half-times of 21 to 33 days. Samples from later in the experiment showed much more rapid biodegradation, which the authors interpret as resulting from adjustment of the bacterial populations to the availability of the substances.
In the study with marine water and sediment, a lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, ethane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow. - Compartment:
- natural water: marine
- DT50:
- 21 - 33 d
- Type:
- (pseudo-)first order (= half-life)
- Temp.:
- 20 °C
- Compartment:
- other: Marine water and sediment model
- DT50:
- >= 87 d
- Type:
- (pseudo-)first order (= half-life)
- Temp.:
- 10 °C
- Transformation products:
- not specified
- Details on transformation products:
- No data reported
- Evaporation of parent compound:
- not specified
- Volatile metabolites:
- not specified
- Residues:
- not specified
- Details on results:
- Experiment 1
Observed rate constant in days-1 (± 1 SD): 0.062 ± 0.003
Rate constant in days-1 predicted for gas exchange at z=560 µM: 0.035
Predicted rate constant for degradation (observed - gas exchange) in days-1 (± 1 SD): 0.027 ± 0.006
Experiment 2
Observed rate constant in days-1 (± 1 SD): 0.027 ± 0.003
Rate constant in days-1 predicted for gas exchange at z=600 µM: 0.024
Predicted rate constant for degradation (observed - gas exchange) in days-1 (± 1 SD): 0.003 ± 0.005 - Results with reference substance:
- Radon (222Rn) is a non-degradable gas used to compensate for outflow and gas exchange
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Non-standard method
- Conclusions:
- The half-life in marine water was reported as 21 to 33 days, while the half-life in the marine water and sediment model was reported as >=87 days.
- Executive summary:
Experimental data are available on the persistence of the substances in marine water and marine water and sediment systems (Bopp et al. 1981). The study is a non-GLP, non-guideline study but is well described and is considered reliable and suitable for use for this endpoint. Gas exchange-biodegradation experiments conducted in model estuarine ecosystem shows that members of the category are not expected to be persistent.
In the study with just marine water, ethane showed evidence of degradation with half-times of 21 to 33 days. Samples from later in the experiment showed much more rapid biodegradation, which the authors interpret as resulting from adjustment of the bacterial populations to the availability of the substances.
In the study with marine water and sediment, ethane showed slow initial degradation, with a half life of >= 87 days. A lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, ethane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow and was degraded completely in about 3 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Non-GLP non-guideline experimental study, published in peer reviewed literature, predates implementation of GLP and/or development of study guidelines but otherwise acceptable for assessment.
- Principles of method if other than guideline:
- Gas exchange-biodegradation experiments conducted in model estuarine ecosystem.
- GLP compliance:
- no
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material:
No data reported - Radiolabelling:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- natural water
- Details on source and properties of surface water:
- Model esturaine ecosystem (replicates the gross features of Narrangansett Bay biological community and nutrient levels).
- Details on source and properties of sediment:
- Model esturaine ecosystem (replicates the gross features of Narrangansett Bay biological community and nutrient levels).
- Details on inoculum:
- No data reported
- Duration of test (contact time):
- 633 h
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Details on study design:
- Gas-exchange-biodegradation experiments were conducted using model estuarine ecosystems comprised of materials from Naragansett Bay. The first experiment was conducted in batch mode at 20°C without the presence of sediments and the second experiment was carried out in flow-through mode at 10°C with an average water exchange rate of 3.7% per day. The losses due to gas exchange in experiment 1 and to gas exchange and water outflow in experiment 2 were compensated for using radon as a conservative marker gas. Radon does not undergo biodegradation and radioactive decay was compensated for in the calculations. Hydrocarbons were introduced to the ecosystem experiment by addition to an inverted container suspended in the water tank, thereby creating a trapped gas pocket. Water was circulated through the gas pocket for about 12 hours using a pump and the container was then removed. A 232radon spike was introduced to the tank by adding 2% tapwater which had about 1000 times the radon content of the Naragansett Bay water. The decrease in concentration with time of the gases was monitored.
In both experiments, samples for hydrocarbon analysis were collected by siphon from 50 cm below the surface of the water; tests had shown that no concentration gradients were present in the water column. The samples were equilibrated at a controlled temperature (22.5°C) with a known volume of headspace in a sealed vial and a sample of the headspace was analysed using GC-FID. Radon samples were collected by drawing water from a depth of 50cm into pre-evacuated bottles, analysed and the results corrected for blanks, natural backgrounds, ingrowth and decay. - Reference substance:
- other: Radon (222Rn) to compensate for outflow and gas exchange
- Test performance:
- In the study with just marine water, propane showed evidence of degradation with half-times of 7 to 9 days. Samples from later in the experiment showed much more rapid biodegradation, which the authors interpret as resulting from adjustment of the bacterial populations to the availability of the substances.
In the study with marine water and sediment, propane showed evidence of degradation from test initiation, with half-lives of 33 to 99 days. The slower rates of degradation compared to experiment 1 are thought to result from the lower temperature (10°C as opposed to 20°C). A lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, propane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow. - Compartment:
- natural water: marine
- DT50:
- 7 - 9 d
- Type:
- (pseudo-)first order (= half-life)
- Temp.:
- 20 °C
- Compartment:
- other: Marine water and sediment model
- DT50:
- 33 - 99 d
- Type:
- (pseudo-)first order (= half-life)
- Temp.:
- 10 °C
- Transformation products:
- not specified
- Details on transformation products:
- No data reported
- Evaporation of parent compound:
- not specified
- Volatile metabolites:
- not specified
- Residues:
- not specified
- Details on results:
- Experiment 1
Observed rate constant in days-1 (± 1 SD): 0.120 ± 0.011
Rate constant in days-1 predicted for gas exchange at z=560 µM: 0.028
Predicted rate constant for degradation (observed - gas exchange) in days-1 (± 1 SD): 0.092 ± 0.014
Experiment 2
Observed rate constant in days-1 (± 1 SD): 0.033 ± 0.005
Rate constant in days-1 predicted for gas exchange at z=600 µM: 0.019
Predicted rate constant for degradation (observed - gas exchange) in days-1 (± 1 SD): 0.014 ± 0.007 - Results with reference substance:
- Radon (222Rn) is a non-degradable gas used to compensate for outflow and gas exchange
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Non-standard method
- Conclusions:
- The half-life in marine water was reported as 7 to 9 days, while the half-life in the marine water and sediment model was reported as 33 to 99 days.
- Executive summary:
Experimental data are available on the persistence of the substances in marine water and marine water and sediment systems (Bopp et al. 1981). The study is a non-GLP, non-guideline study but is well described and is considered reliable and suitable for use for this endpoint. Gas exchange-biodegradation experiments conducted in model estuarine ecosystem shows that members of the category are not expected to be persistent.
In the study with just marine water, propane showed evidence of degradation with half-times of 7 to 9 days. Samples from later in the experiment showed much more rapid biodegradation, which the authors interpret as resulting from adjustment of the bacterial populations to the availability of the substances.
In the study with marine water and sediment, propane showed slow initial degradation, with a half life of 33 to 99 days. A lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, propane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow and was degraded completely within about 3 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 4.55 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 4.55 days.
- Executive summary:
The half-live of Benzene has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 4.55 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 2.75 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 2.75 days.
- Executive summary:
The half-live of But-1 -ene has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 2.75 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 1.92 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 1.92 days.
- Executive summary:
The half-live of But-2 -ene, cis- has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 1.92 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 2.82 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 2.82 days.
- Executive summary:
The half-live of Buta-1,3 -diene has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 2.82 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 3.46 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 3.46 days.
- Executive summary:
The half-live of Butane has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 3.46 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The BioHCwin half-live of this constituent could not be predicted due to the presence of heteroatoms.
- Executive summary:
The half-live of Carbon Monoxide could not be predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005) due to the presence of heteroatoms.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 2.55 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 2.55 days.
- Executive summary:
The half-live of Ethane has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 2.55 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 2.91 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 2.91 days.
- Executive summary:
The half-live of Ethene [aka Ethylene] has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 2.91 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 3.19 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 3.19 days.
- Executive summary:
The half-live of Methane has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 3.19 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 4.03 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 4.03 days.
- Executive summary:
The half-live of Pentane has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 4.03 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 2.36 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 2.36 days.
- Executive summary:
The half-live of Prop-1 -ene has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 2.36 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 1.92 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 1.92 days.
- Executive summary:
The half-live of Prop-1 -ene, 2 -methyl- has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 1.92 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 2.97 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 2.97 days.
- Executive summary:
The half-live of Propane has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 2.97 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 3.09 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 3.09 days.
- Executive summary:
The half-live of Propane, 2 -methyl- has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 3.09 days.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Episuite and the BioHCWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Principles of method if other than guideline:
- BioHCwin v1.01 in EPISuite 4.1 (2017). The BioHCwin program was developed specifically for the biodegradation half-life prediction of petroleum hydrocarbons. Primary biodegradation half-lives for individual petroleum hydrocarbons are estimated using multiple linear regression against distinct molecular fragments, using a similar approach to several other biodegradation models such as those within the Biodegradation Probability Program (BIOWIN).
BioHCWin training sets were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. A single recommended biodegradation half-life was chosen for use in the regression analysis from the primary biodegradation data that were compiled for each hydrocarbon structure. Biodegradation data for the xylene isomers and several PAHs were taken from the Syracuse Research Corporation database. - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- DT50:
- 1.92 d
- Type:
- not specified
- Remarks on result:
- other: Result from QSAR prediction
- Transformation products:
- not measured
- Remarks:
- QSAR Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The predicted BioHCwin half-live of this constituent is 1.92 days.
- Executive summary:
The half-live of But-2 -ene, trans- has been predicted using the EPISUITE v4.11 BioHCwin model (2017), which uses methodology described by Howard et al. (2005). The predicted BioHCwin half-live of this constituent is 1.92 days.
Referenceopen allclose all
Description of key information
There is experimental data from a non-GLP non-guideline experimental study (Bopp, 1981). In just marine water, ethane, propane and 2 -methylpropane (isobutane), showed evidence of degradation with half-lives of 7 to 33 days. In marine water and sediment, propane, butane and isobutane showed evidence of degradation from test initiation, with half-lives of 18 to 139 days but, after a lag-phase of approximately 2 weeks, the substances were degraded completely within about 3 days.
It is not feasible to perform simulation tests on complex, volatile UVCBs, especially for a gas category at standard temperature and pressure, the use of the BioHCwin QSAR to predict the biodegradability of this Category is an appropriate technique for this endpoint. The BioHCwin QSAR model of all the constituents in the category indicates that they are predicted to have a half-life of 1.92 - 4.55 days. One constituent presented heteroatoms and their BioHCwin half-lives could not be predicted. Of the 15 constituents, no one has a half life of greater than 40 days.
Key value for chemical safety assessment
Additional information
Experimental data
Experimental data are available on the persistence of the substances in marine water and marine water and sediment systems. Gas exchange-biodegradation experiments conducted in model estuarine ecosystem shows that members of the category are not expected to be persistent. The study is a non-GLP, non-guideline study but is well described and is considered suitable for use for this endpoint.
In the study with just marine water, ethane, propane and isobutane showed evidence of degradation with half-times of 7 to 33 days. Samples from later in the experiment showed much more rapid biodegradation, which the authors interpret as resulting from adjustment of the bacterial populations to the availability of the substances. Although results of >70 days were given for the half-life of methane in marine water, the authors report that the loss of methane could be accounted for by gas exchange. Therefore, results for methane have not been included in the REACH dossier as they do not represent actual degradation of the substance.
In the study with marine water and sediment, propane, butane and isobutane showed evidence of degradation from test initiation, with half-lives of 18 to 139 days. The slower rates of degradation compared to experiment 1 are thought to result from the lower temperature (10°C as opposed to 20°C). A lag-time of approximately 2 weeks was seen for the bacteria in the tank to respond completely to the availability of the gases and develop a population with a strong hydrocarbon utilisation capability. Between 311 and 400 hours, ethane, propane, butane and isobutane showed rapid decreases in concentration, far in excess of earlier degradation, gas exchange and outflow. Ethane, which was degraded completely in about 3 days, was the slowest of the substances. Methane also appeared to be degraded during this period, at a rate of about 2.9% per day, corresponding to a half-life of about 24 days.
Ethane, propane, butane and isobutane are subject to degradation in marine ecosystems on the timescale of a few days to a few weeks. Initial rates of degradation are significantly slower than the predicted loss by gas exchange from typical natural estuaries. After a period of 15 to 30 days of moderate degradation, bacterial populations can adjust and degrade gaseous hydrocarbons at least an order to magnitude more rapidly. Thus, for chronic inputs to estuaries, degradation could become the dominant removal mechanism.
QSAR data
Tthe BioHCwin QSAR model of all the constituents in the category indicates that they are predicted to have a half-life of 1.92 - 4.55 days. One constituent presented heteroatoms and their BioHCwin half-lives could not be predicted. Of the 15 constituents, no one has a half life of greater than 40 days.
Constituent Name | CAS No. | BioHCwin half-life (days) |
Benzene | 000071-43-2 | 4.55 |
But-1-ene | 000106-98-9 | 2.75 |
But-2-ene, cis- | 000590-18-1 | 1.92 |
But-2-ene, trans- | 000624-64-6 | 1.92 |
Buta-1,3-diene | 000106-99-0 | 2.82 |
Butane | 000106-97-8 | 3.46 |
Carbon Monoxide | 000630-08-0 | |
Ethane | 000074-84-0 | 2.55 |
Ethene [aka Ethylene] | 000074-85-1 | 2.91 |
Methane | 000074-82-8 | 3.19 |
Pentane | 000109-66-0 | 4.03 |
Prop-1-ene | 000115-07-1 | 2.36 |
Prop-1-ene, 2-methyl- | 000115-11-7 | 1.92 |
Propane | 000074-98-6 | 2.97 |
Propane, 2-methyl- | 000075-28-5 | 3.09 |
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