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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 33.64
MoAr 7 15.72
MoAr 8 8.92
MoAr 9 1.46
MoAr 10 2.39
MoAr 11 0.13
NMoAr 9 0.83
n-CC5 5 4.39
n-CC5 6 1.4
n-CC5 7 0.59
n-CC6 6 0.64
n-CC6 7 0.45
n-P 5 3.93
n-P 6 1.61
n-P 7 0.39
i-P 5 4.38
i-P 6 0.87
i-P 7 0.92
i-P 7 0.13
n-Olefin 5 10.52
n-Olefin 6 0.32
n-Olefin 7 0.39
n-Olefin 8 0.34
i-Olefin 5 0.96
i-Olefin 6 0.51
i-Olefin 12 0.26
Total 96.09

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.:
156 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.:
28 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) for activated sludge were 156 and 28.0 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 156 and 28.0 mg/L respectively. The model used for the predictions 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 0.77
MoAr 7 29.54
MoAr 8 23.31
MoAr 9 12.51
MoAr 10 5.18
MoAr 11 1.12
NMoAr 9 6.5
n-CC5 7 0.18
n-CC6 7 0.52
n-CC6 8 0.11
n-CC6 9 0.14
n-Olefin 7 0.13
n-Olefin 8 0.24
n-Olefin 11 1.67
n-P 7 0.76
n-P 8 0.28
n-P 12 0.21
i-P 8 0.71
i-P 9 0.23
i-P 11 0.19
i-P 12 0.74
Total 85.04

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.:
74.3 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.:
10.2 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) for activated sludge were 74.3 and 10.2 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 74.3 and 10.2 mg/L respectively. The model used for the predictions 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)
DiAr 10 0.12
i-P 7 0.11
i-P 8 2.01
i-P 9 0.58
MoAr 6 1.01
MoAr 7 41.85
MoAr 8 27.32
MoAr 9 5.61
MoAr 10 0.61
MoAr 11 0.64
n-CC5 7 1.82
n-CC5 8 0.52
n-CC6 7 3.24
n-CC6 8 1.85
n-CC6 9 0.39
NMoAr 10 0.21
n-Olefin 8 0.1
n-Olefin 9 0.12
n-P 7 1.9
n-P 8 1.29
n-P 9 0.57
Poly-N 10 2.06
Total 93.93

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.:
107 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.:
14.7 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) for activated sludge were 107 and 14.7 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 107 and 14.7 mg/L respectively. The model used for the predictions 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)
DiAr 11 0.42
i-Olefin 4 0.18
i-Olefin 5 2.08
i-Olefin 6 0.13
i-P 5 4.8
i-P 6 3.31
i-P 7 1.03
i-P 11 0.65
i-P 12 2.46
i-P 13 0.17
MoAr 6 26.76
MoAr 7 12.12
MoAr 8 7.93
MoAr 10 0.18
MoAr 11 0.79
MoAr 12 0.14
n-CC5 5 1.8
n-CC5 6 2.3
n-CC5 7 0.61
n-Olefin 4 1.45
n-Olefin 5 5.91
n-Olefin 6 1.62
n-Olefin 7 0.17
n-Olefin 10 0.2
n-Olefin 11 0.31
n-P 4 0.31
n-P 5 6.94
n-P 6 2.37
n-P 7 0.79
n-P 8 0.23
n-P 11 2.82
Poly-N 10 0.26
Total 91.24

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.:
273 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.:
28.3 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) for activated sludge were 273 and 28.3 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 273 and 28.3 mg/L respectively. The model used for the predictions 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)
n-P 7 3.65
n-P 8 1.19
n-P 9 0.13
n-Olefin 8 0.36
NMoAr 9 0.1
n-CC5 7 0.34
n-CC6 7 0.16
n-CC6 9 0.14
MoAr 6 1.19
MoAr 7 29.82
MoAr 8 34.65
MoAr 9 11.52
MoAr 10 0.24
i-P 7 8.55
i-P 8 3.28
i-P 9 0.23
Total 95.55

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.:
86.2 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
Duration:
15 h
Dose descriptor:
other: EL10
Effect conc.:
16.5 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) for activated sludge were 86.2 and 16.5 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 86.2 and 16.5 mg/L respectively. The model used for the predictions 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 7 18.09
MoAr 8 31.77
MoAr 9 23.83
MoAr 10 3.25
NMoAr 9 3.84
n-CC5 8 0.23
n-CC5 9 0.32
n-CC6 8 0.77
n-CC6 9 0.28
n-P 8 0.77
n-P 9 0.54
n-P 10 0.22
i-P 7 0.14
i-P 8 0.28
i-P 9 0.68
n-Olefin 8 0.11
n-Olefin 10 0.21
n-Olefin 11 0.22
n-Olefin 12 0.11
Total 85.66

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.:
60.5 mg/L
Nominal / measured:
nominal
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.:
10.8 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) for activated sludge were 60.5 and 10.8 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 60.5 and 10.8 mg/L respectively. The model used for the predictions 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)
DiAr 10 0.53
i-P 5 1.87
i-P 6 3.85
i-P 8 0.25
i-P 9 0.11
i-P 10 0.15
i-P 11 0.22
i-P 12 0.3
MoAr 6 0.62
MoAr 7 21
MoAr 8 18.1
MoAr 9 12.67
MoAr 10 1.78
MoAr 11 0.66
n-CC5 5 2.24
n-CC5 6 0.21
n-CC5 7 0.18
n-CC5 9 0.29
n-CC6 7 0.4
n-CC6 8 0.14
NMoAr 9 2.01
n-Olefin 5 2.52
n-Olefin 9 0.23
n-Olefin 10 3.81
n-Olefin 11 0.66
n-P 4 0.14
n-P 5 3.22
n-P 6 1.42
n-P 7 0.17
n-P 8 0.26
Poly-N 10 1.49
Total 81.54

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.:
106 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.:
9.93 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) for activated sludge were 106 and 9.93 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 106 and 9.93 mg/L respectively. The model used for the predictions 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)
DiAr 10 1.17
i-Olefin 5 0.49
i-P 5 0.14
i-P 6 2.7
i-P 7 0.3
MoAr 6 29.51
MoAr 7 19.19
MoAr 8 13.66
MoAr 9 6.31
MoAr 10 2.37
n-CC5 5 0.24
n-CC5 6 0.77
n-CC5 7 0.6
n-CC5 9 0.24
n-CC6 7 0.69
n-CC6 8 0.12
NMoAr 9 0.38
n-Olefin 5 4.9
n-Olefin 6 1.4
n-Olefin 10 1.72
n-P 5 1.24
n-P 6 1.31
n-P 7 0.69
n-P 8 0.18
n-P 10 0.27
n-P 16 0.66
Poly-N 10 1.29
Total 92.56

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.:
135 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.:
17.7 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) for activated sludge were 135 and 17.7 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 135 and 17.7 mg/L respectively. The model used for the predictions 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)
DiAr 10 0.38
i-Olefin 5 1.85
i-Olefin 7 1.29
i-Olefin 8 0.88
i-P 5 2.33
i-P 6 1.72
i-P 7 0.24
i-P 9 0.22
MoAr 6 33.03
MoAr 7 13.52
MoAr 8 9.4
MoAr 9 3.03
MoAr 10 1.22
MoAr 11 0.57
n-CC5 5 0.47
n-CC5 6 0.62
n-CC5 7 0.18
n-CC5 8 0.15
n-CC6 6 0.34
n-CC6 7 0.3
n-CC6 10 0.14
NMoAr 9 0.12
n-Olefin 4 0.14
n-Olefin 5 7
n-Olefin 6 0.88
n-Olefin 9 0.35
n-Olefin 10 7.19
n-Olefin 11 1.31
n-P 5 3.72
n-P 6 1.09
n-P 7 0.31
n-P 8 0.13
Total 94.12

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.:
221 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.:
9.38 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) for activated sludge were 221 and 9.38 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 221 and 9.38 mg/L respectively. The model used for the predictions 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)
DiAr 10 0.32
i-P 8 0.9
i-P 9 0.1
MoAr 7 38.21
MoAr 8 23.2
MoAr 9 7.3
MoAr 10 1.33
MoAr 11 1.98
n-CC5 7 1.41
n-CC5 8 1.24
n-CC6 7 2.2
n-CC6 8 1.27
n-CC6 9 0.24
NMoAr 9 2.53
n-Olefin 8 0.15
n-Olefin 9 0.15
n-Olefin 11 0.31
n-P 7 1.6
n-P 8 0.73
n-P 9 0.26
n-P 10 0.16
Poly-N 10 5.89
Poly-N 11 1.14
Total 92.58

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.:
120 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.:
13.1 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) for activated sludge were 120 and 13.1 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 120 and 13.1 mg/L respectively. The model used for the predictions 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)
DiAr 10 0.31
i-Olefin 5 3.94
i-Olefin 6 0.4
i-P 5 1.15
i-P 6 0.6
i-P 7 0.79
MoAr 6 40.49
MoAr 7 14.2
MoAr 8 8.58
MoAr 9 1.84
MoAr 10 0.5
MoAr 11+ 0.12
n-CC5 5 3.42
n-CC5 6 1.15
n-CC5 7 0.22
n-CC6 6 0.55
n-CC6 7 0.16
NMoAr 9 1.01
n-Olefin 4 0.6
n-Olefin 5 6.67
n-Olefin 6 0.32
n-Olefin 10 2.53
n-Olefin 11 0.34
n-P 5 2.83
n-P 6 0.85
n-P 7 0.18
n-P 11 0.52
Poly-N 10 0.61
Total 94.88

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.:
222 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.:
22.2 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) for activated sludge were 222 and 22.2 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 222 and 22.2 mg/L respectively. The model used for the predictions 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)
i-Olefin 5 4.31
i-Olefin 6 0.62
i-P 5 2.87
i-P 6 1.49
i-P 7 1.14
MoAr 6 38.94
MoAr 7 13.47
MoAr 8 7.92
MoAr 9 2.35
MoAr 10 2.89
n-CC5 5 2.48
n-CC5 6 1.15
n-CC5 7 0.21
n-CC5 8 0.14
n-CC5 9 0.13
n-CC6 6 0.68
n-CC6 7 0.32
NMoAr 9 0.7
n-Olefin 5 6.67
n-Olefin 6 0.42
n-Olefin 7 0.11
n-Olefin 10 0.14
n-Olefin 11 0.22
n-P 5 4.67
n-P 6 1.83
n-P 7 0.32
Total 96.18

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.:
151 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.:
27.5 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) for activated sludge were 151 and 27.5 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 151 and 27.5 mg/L respectively. The model used for the predictions 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 LL50 values for Activated Sludge ranged from 60.5 to 273 mg/L. The predicted EL10 values for Activated Sludge ranged from 9.38 to 28.3 mg/L.
 

Key value for chemical safety assessment

Additional information

 
The PETROTOX v4.0 model combines a partitioning model used to calculate 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 68527-23-1 271-264-4 60.5 10.8
Activated Sludge 64742-83-2 265-187-5 156 28.0
Activated Sludge 64742-91-2 265-194-3 74.3 10.2
Activated Sludge 68477-53-2 270-736-7 273 28.3
Activated Sludge 68516-20-1  271-138-9 86.2 16.5
Activated Sludge 68527-26-4 271-266-5 106 9.93
Activated Sludge 92045-61-9 295-443-1 222 22.2
Activated Sludge 68477-39-4 270-728-3 107 14.7
Activated Sludge 90989-43-8 292-699-6  120 13.1
Activated Sludge 68606-10-0 271-726-5 135 17.7
Activated Sludge 94114-03-1 302-639-3 151 27.5
Activated Sludge 68921-67-5 272-951-1 221 9.38