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Endpoint:
activated sludge respiration inhibition testing
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: This summary has a reliability of 2 because the results are estimated using a computer model that is appropriate for use with this petroleum substance.
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Remarks:
The data were calculated by a computer model
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
MoAr 6 0.960
n-CC5 5 14.35
n-P 4 2.9
n-P 5 33.49
n-P 6 0.96
i-P 5 33.49
i-P 6 12.9
i-Olefin 5 1.0
Total 100.00

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Analytical monitoring:
not required
Test organisms (species):
activated sludge
Test type:
other: QSAR modelled data
Water media type:
freshwater
Limit test:
no
Total exposure duration:
15 h
Duration:
15 h
Dose descriptor:
other: EL50
Effect conc.:
337 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Duration:
15 h
Dose descriptor:
other: EL10
Effect conc.:
58.7 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for activated sludge were 337 mg/L and 58.7 mg/L, respectively.
Executive summary:

The QSAR predicted  15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for Activated Sludge were 337 mg/L and 58.7mg/L, respectively.

The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
activated sludge respiration inhibition testing
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Remarks:
The data were calculated by a computer model
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
MoAr 6 0.669
n-CC5 5 3.29
n-CC5 6 17.2
n-CC5 7 1.94
n-CC6 6 3.63
n-CC6 7 0.154
n-Olefin 6 0.138
i-Olefin 6 0.361
i-Olefin 7 0.188
n-P 4 0.527
n-P 5 1.40
n-P 6 25.2
n-P 7 0.505
i-P 5 0.437
i-P 6 20.3
i-P 7 23.5
Total 99.5

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Analytical monitoring:
not required
Test organisms (species):
activated sludge
Test type:
other: QSAR modelled data
Water media type:
freshwater
Limit test:
no
Total exposure duration:
15 h
Duration:
15 h
Dose descriptor:
other: EL50
Effect conc.:
> 1 000 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Duration:
15 h
Dose descriptor:
other: EL10
Effect conc.:
27.1 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for activated sludge were >1000 mg/L and EL10 is 27.1 mg/L, respectively.
Executive summary:

The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for Activated Sludge were >1000 mg/L and 27.1 mg/L, respectively.

The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
activated sludge respiration inhibition testing
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
See Attached Justification
Qualifier:
no guideline followed
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Remarks:
The data were calculated by a computer model
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
MoAr 6 3.89
n-CC5 6 43.5
n-CC5 7 8.55
n-CC6 6 12.8
n-CC6 7 0.370
n-P 6 17.00
n-P 7 1.87
i-P 6 0.74
i-P 7 10.8
Total 99.5

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Analytical monitoring:
not required
Test organisms (species):
activated sludge
Test type:
other: QSAR modelled data
Water media type:
freshwater
Limit test:
no
Total exposure duration:
15 h
Duration:
15 h
Dose descriptor:
other: EL50
Effect conc.:
320 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Duration:
15 h
Dose descriptor:
other: EL10
Effect conc.:
23.2 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for activated sludge were 320 mg/L and 23.2 mg/L, respectively.
Executive summary:

The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for Activated Sludge were 320 mg/L and 23.2 mg/L,respectively.The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
activated sludge respiration inhibition testing
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: This summary has a reliability of 2 because the results are estimated using a computer model that is appropriate for use with this petroleum substance.
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Remarks:
The data were calculated by a computer model
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
MoAr 6 0.960
n-CC5 5 56.8
n-CC5 6 0.5
n-P 5 4.10
n-P 6 4.08
i-P 5 3.86
i-P 6 29.7
Total 99.97

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Analytical monitoring:
not required
Test organisms (species):
activated sludge
Test type:
other: QSAR modelled data
Water media type:
freshwater
Limit test:
no
Total exposure duration:
15 h
Duration:
15 h
Dose descriptor:
other: EL50
Effect conc.:
261 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Duration:
15 h
Dose descriptor:
other: EL10
Effect conc.:
49.9 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for activated sludge were 261 mg/L and 49.9 mg/L, respectively.
Executive summary:

The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for Activated Sludge were 261 mg/L and 49.9 mg/L, respectively.

The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
activated sludge respiration inhibition testing
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Remarks:
The data were calculated by a computer model
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
MoAr 6 3.13
n-CC5 5 31.6
n-CC5 6 6.96
n-CC5 7 1.80
n-CC6 6 31.4
n-CC6 7 1.00
n-P 4 5.14
n-P 5 5.14
n-P 6 3.38
n-P 7 1.90
i-P 4 0.180
i-P 5 2.19
i-P 6 4.74
i-P 7 1.22
Total 99.7

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Analytical monitoring:
not required
Test organisms (species):
activated sludge
Test type:
other: QSAR modelled data
Water media type:
freshwater
Limit test:
no
Total exposure duration:
15 h
Duration:
15 h
Dose descriptor:
other: EL50
Effect conc.:
164 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Duration:
15 h
Dose descriptor:
other: EL10
Effect conc.:
31.5 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
inhibition of total respiration
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for activated sludge were 164 mg/L and 31.5 mg/L, respectively.
Executive summary:

The QSAR predicted 15-h EL50 (inhibition of total respiration) and 15-h EL10 (inhibition of total respiration) of the UVCB substance for Activated Sludge were 164 mg/L and 31.5 mg/L respectively. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Description of key information

The aquatic toxicity was predicted by a QSAR, the PETROTOX v4.0 computer model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. The substances of this category fit within the criteria of the model and there are no reservations about the validity of the model runs. The predicted 15-h EL50 (inhibition of total respiration) values for activated sludge ranged from 164 to >1000 mg/L. The predicted 15-h EL10 (inhibition of total respiration) values for activated sludge ranged from 23.2 to 58.7 mg/L. 

 

Key value for chemical safety assessment

Additional information

The PETROTOX v4.0 computer model combines a partitioning model used to predict the aqueous concentration of hydrocarbon constituents with the Target Lipid Model used to calculate acute and chronic toxicity of non-polar narcotic chemicals. PETROTOX computes toxicity based on the summation of the aqueous-phase concentrations of hydrocarbon block(s) that represent a hydrocarbon substance and membrane-water partition coefficients (KMW) that describe the partitioning of the hydrocarbons between the water and organism.
 
The predicted values were:
Species CAS No. EC No. LL50 / EL50 (mg/L) EL10 (mg/L)
Activated Sludge 92128-65-9 295-762-6 164 31.5
Activated Sludge 64742-49-0 265-151-9 320 23.2
Activated Sludge 64741-84-0 265-086-6 >1000 27.1
Activated Sludge 68476-55-1 270-695-5 261 49.9
Activated Sludge 102110-14-5 310-012-0 337 58.7