Registration Dossier
Registration Dossier
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EC number: 271-138-9 | CAS number: 68516-20-1 A complex combination of hydrocarbons produced by the distillation of products from a steam-cracking process. It consists predominantly of aromatic hydrocarbons having carbon numbers predominantly in the range of C7 through C12 and boiling in the range of approximately 130°C to 220°C(266°F to 428°F).
Long-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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 12 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 relavant block that presented the highest toxicity. - Analytical monitoring:
- not required
- Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 2.56 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 2.56 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 2.56 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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 relavant block that presented the highest toxicity. - Analytical monitoring:
- not required
- Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 0.93 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 0.93 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 0.93 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 0.89 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 0.89 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 0.89 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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 relavant block that presented the highest toxicity. - Analytical monitoring:
- not required
- Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 1.43 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 1.43 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 1.43 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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 relavant block that presented the highest toxicity. - Analytical monitoring:
- not required
- Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 1.51 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 1.51 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 1.51 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 0.99 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- lenght, weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 0.99 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 0.99 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 0.559 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 0.559 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 0.559 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 1.23 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 1.23 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 1.23 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 0.855 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 0.855 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 0.855 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 0.74 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 0.74 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 0.74 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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 relavant block that presented the highest toxicity. - Analytical monitoring:
- not required
- Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 1.3 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 1.30 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 1.30 mg/L. The model used for the prediction 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:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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:
- not specified
- 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):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Total exposure duration:
- 60 d
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 60 d
- Dose descriptor:
- EL10
- Effect conc.:
- 2.51 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: hatch, survival
- Remarks:
- length and weight
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 60-d EL10 (hatch, survival, length and weight) for O. mykiss was 2.51 mg/L.
- Executive summary:
The QSAR predicted 60-d EL10 (hatch, survival, length and weight) of the UVCB substance for Onchorynchus mykiss was 2.51 mg/L. The model used for the prediction 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.
Referenceopen allclose all
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 EL10 values for Oncorhynchus mykiss ranged from 0.559 to 2.56 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 predict 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. | EL10 (mg/L) |
| Oncorhynchus mykiss | 68527-23-1 | 271-264-4 | 0.99 |
| Oncorhynchus mykiss | 64742-83-2 | 265-187-5 | 2.56 |
| Oncorhynchus mykiss | 64742-91-2 | 265-194-3 | 0.93 |
| Oncorhynchus mykiss | 68477-53-2 | 270-736-7 | 1.43 |
| Oncorhynchus mykiss | 68516-20-1 | 271-138-9 | 1.51 |
| Oncorhynchus mykiss | 68527-26-4 | 271-266-5 | 0.559 |
| Oncorhynchus mykiss | 92045-61-9 | 295-443-1 | 1.30 |
| Oncorhynchus mykiss | 68477-39-4 | 270-728-3 | 0.89 |
| Oncorhynchus mykiss | 90989-43-8 | 292-699-6 | 0.74 |
| Oncorhynchus mykiss | 68606-10-0 | 271-726-5 | 1.23 |
| Oncorhynchus mykiss | 94114-03-1 | 302-639-3 | 2.51 |
| Oncorhynchus mykiss | 68921-67-5 | 272-951-1 | 0.855 |
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