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EC number: 292-324-6 | CAS number: 90604-31-2
- 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

Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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 limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The prediction was done by using OECD QSAR tool box v3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: Alcohols, C13-15
- IUPAC name: Alcohols, C13-15
- Molecular formula: C13H280 + C15H32O
- Molecular weight: 208.78 g/mole
- Substance type: Organic
- Physical state: Liquid
- SMILES: CCCCCCCCCCCCCO - Oxygen conditions:
- not specified
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: % degradation by BOD
- Value:
- 87.771
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not available
- Details on results:
- Percent biodegradation of the test chemical Alcohols, C13-15 was estimated to be 87.77% by considering BOD as parameter and Microorganism as inoculum in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Percent biodegradation of the test chemical Alcohols, C13-15 was estimated to be 87.77% by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Alcohols, C13-15 is readily biodegradable.
- Executive summary:
Biodegradability of test chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) was estimated by using OECD QSAR tool box v3.4 by considering seven closest reda across chemical log Kow as primary descriptor. Percent biodegradation of the test chemical Alcohols, C13-15 was estimated to be 87.77 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Alcohols, C13-15 is readily biodegradable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((("a"
or "b" )
and ("c"
and (
not "d")
)
)
and "e" )
and "f" )
and "g" )
and "h" )
and "i" )
and "j" )
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and ("v"
and "w" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Long chain alcohols by OECD HPV
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Class 1 (narcosis or baseline
toxicity) by Acute aquatic toxicity classification by Verhaar (Modified)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones and Trihydroxybenzenes OR AN2 >> Schiff base
formation by aldehyde formed after metabolic activation OR AN2 >> Schiff
base formation by aldehyde formed after metabolic activation >> Geminal
Polyhaloalkane Derivatives OR AN2 >> Thioacylation via nucleophilic
addition after cysteine-mediated thioketene formation OR AN2 >>
Thioacylation via nucleophilic addition after cysteine-mediated
thioketene formation >> Haloalkenes with Electron-Withdrawing Groups OR
Non-covalent interaction OR Non-covalent interaction >> DNA
intercalation OR Non-covalent interaction >> DNA intercalation >>
Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives OR
Non-covalent interaction >> DNA intercalation >> Quinones and
Trihydroxybenzenes OR Radical OR Radical >> Generation of ROS by
glutathione depletion (indirect) OR Radical >> Generation of ROS by
glutathione depletion (indirect) >> Haloalkanes Containing Heteroatom OR
Radical >> Radical mechanism via ROS formation (indirect) OR Radical >>
Radical mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> Quinones and Trihydroxybenzenes OR SN1 OR SN1 >> Alkylation after
metabolically formed carbenium ion species OR SN1 >> Alkylation after
metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon and Naphthalenediimide Derivatives OR SN1 >> Carbenium ion
formation OR SN1 >> Carbenium ion formation >> Alpha-Haloethers OR SN1
>> Nucleophilic substitution after carbenium ion formation OR SN1 >>
Nucleophilic substitution after carbenium ion formation >>
Monohaloalkanes OR SN2 OR SN2 >> Acylation involving a leaving group
after metabolic activation OR SN2 >> Acylation involving a leaving group
after metabolic activation >> Geminal Polyhaloalkane Derivatives OR SN2
>> Alkylation by epoxide metabolically formed after E2 reaction OR SN2
>> Alkylation by epoxide metabolically formed after E2 reaction >>
Monohaloalkanes OR SN2 >> Alkylation, direct acting epoxides and related
after P450-mediated metabolic activation OR SN2 >> Alkylation, direct
acting epoxides and related after P450-mediated metabolic activation >>
Haloalkenes with Electron-Withdrawing Groups OR SN2 >> Alkylation,
direct acting epoxides and related after P450-mediated metabolic
activation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide
Derivatives OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom >> Haloalkanes Containing Heteroatom OR SN2 >>
Alkylation, nucleophilic substitution at sp3-carbon atom >>
Monohaloalkanes OR SN2 >> Direct acting epoxides formed after metabolic
activation OR SN2 >> Direct acting epoxides formed after metabolic
activation >> Quinoline Derivatives OR SN2 >> DNA alkylation OR SN2 >>
DNA alkylation >> Vicinal Dihaloalkanes OR SN2 >> Internal SN2 reaction
with aziridinium and/or cyclic sulfonium ion formation (enzymatic) OR
SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonium
ion formation (enzymatic) >> Vicinal Dihaloalkanes OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom OR
SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol
(glutathione) conjugation OR SN2 >> Nucleophilic substitution at sp3
carbon atom after thiol (glutathione) conjugation >> Geminal
Polyhaloalkane Derivatives OR SN2 >> SN2 at an activated carbon atom OR
SN2 >> SN2 at an activated carbon atom >> Quinoline Derivatives OR SN2
>> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >>
Alpha-Haloethers by DNA binding by OASIS v.1.4
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 1) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 2) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 5) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 6) ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Basesurface narcotics by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aliphatic alcohol [-OH] AND
-CH2- [linear] AND Linear C4 terminal chain [CCC-CH3] AND Methyl
[-CH3] by Bioaccumulation - metabolism alerts
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aromatic chloride [-CL] by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aliphatic alcohol [-OH] AND
-CH2- [linear] AND Linear C4 terminal chain [CCC-CH3] AND Methyl
[-CH3] by Bioaccumulation - metabolism alerts
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aromatic-CH3 by Bioaccumulation
- metabolism alerts
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Moderate by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Aliphatic alcohol [-OH] AND
-CH2- [linear] AND Methyl [-CH3] by Biodegradation fragments (BioWIN
MITI)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as -CH2- [cyclic] by
Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Aliphatic alcohol [-OH] AND
-CH2- [linear] AND Methyl [-CH3] by Biodegradation fragments (BioWIN
MITI)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as -CH- [linear] by
Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aliphatic alcohol [-OH] AND
-CH2- [linear] AND Methyl [-CH3] by Biodegradation fragments (BioWIN
MITI)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aromatic-H by Biodegradation
fragments (BioWIN MITI)
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 84 Da
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 243
Da
Description of key information
Biodegradability of test chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) was estimated by using OECD QSAR tool box v3.4 by considering seven closest reda across chemical log Kow as primary descriptor. Percent biodegradation of the test chemical Alcohols, C13-15 was estimated to be 87.77 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Alcohols, C13-15 is readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
Predicted data studies for target chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) and supporting experimental studies for its structurally similar read across chemicals have been carried out and results are summarized below for biodegradation in water endpoint.
In first predicted data study biodegradability of test chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) was estimated by using OECD QSAR tool box v3.4 by considering seven closest read across chemical log Kow as primary descriptor. Percent biodegradation of the test chemical Alcohols, C13-15 was estimated to be 87.77 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Alcohols, C13-15 is readily biodegradable.
Another study was done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound Alcohols, C13-15 (CAS no. 90604 -31 -2) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical Alcohols, C13-15 is expected to be readily biodegradable.
Next study was experimental study done from authoritative database (J check, 2017) for read across chemical 1-Tridecanol (CAS no. 112-70-9) in this study the test chemical 1-Tridecanol was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD and GC parameters. The initial concentration of read across chemical was 100 mg/L. The study design was of standard type. The read across chemical 1-Tridecanol showed 88.4 % biodegradability by BOD parameter and 100 % by GC parameter and activated sludge as inoculumin14 days. On the basis of percent degradability value it is concluded that read across chemical 1-Tridecanol is readily biodegradable.
Another supporting study was also done from authoritative database J check, 2017 for another read across chemical 1-Octanol (CAS no. 111-87-5) in this study the read across chemical 1-Octanol (CAS no. 111-87-5) was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD, TOC and GC parameters. The initial concentration of read across chemical was 100 mg/L. The read across chemical 1-Octanol showed 89 % biodegradation by BOD parameter, 99 % biodegradation by TOC parameter and 100 % by GC parameter by using activated sludge as inoculums in 28 days. On the basis of percent degradability value it is concluded that read across chemical 1-Octanol is readily biodegradable.
By considering all the studies mentioned above it can be concluded that test chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) is readily biodegradable.
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