Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 271-264-4 | CAS number: 68527-23-1 A complex combination of hydrocarbons produced by distillation of products from a steam-cracking process. It consists predominantly of aromatic hydrocarbons having carbon numbers predominantly in the range of C7 through C9 and boiling in the range of approximately 110°C to 165°C (230°F to 329°F).
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 13.3 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 13.3 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 13.3 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 4.86 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediciton
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 4.86 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 4.86 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 6.7 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 6.70 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 6.70 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 10.8 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 10.8 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 10.8 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 7.86 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 7.86 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 7.86 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 5.16 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 5.16 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 5.16 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 4.32 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 4.32 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 4.32 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 7.92 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 7.92 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 7.92 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 4.44 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 4.44 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 4.44 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 5.74 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 5.74 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 5.74 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 9.43 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 9.43 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 9.43 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:
- short-term toxicity to fish
- 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:
- 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. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Test type:
- other: QSAR
- Water media type:
- other: QSAR
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 13.1 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 13.1 mg/L.
- Executive summary:
The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for Onchorynchus mykiss was 13.1 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:
- short-term toxicity to fish
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12-Jan-2004 to 16-Jan-2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP-compliant, guideline study, available as an unpublished report, acceptable with restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 203 (Fish, Acute Toxicity Test)
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- EMBSI Identification: MRD-03-769
Industry Stream Name (acronym): Pyrolysis C10+ Fuel Oil (from Pyrolysis Gasoline Distillation)
CAS No. 68513-69-9: Residues, petroleum, steam-cracked light
CAS No. 68921-67-5: Hydrocarbons, ethylene-manuf.-by-product distn. residues
Supplier: Dow Chemical Company Plaquemine, LA
Date Received: July 23, 2003
Expiration Date: July 2008
Description: Amber liquid
Storage Conditions: The neat test substance was stored at room temperature. - Analytical monitoring:
- yes
- Details on sampling:
- Samples taken (with no headspace) Day 0, Day 1, Day 3 and Day 4, prior to renewals and in a composite of the replicates after each renewal. Observations were performed at 3, 6, 24, 48, 72 and 96 hrs after the beginning of the test
- Vehicle:
- no
- Details on test solutions:
- Treatments prepared by adding the appropriate amount of substance to 18.0L of dilution water in glass aspirator bottles. The mixtures were stirred for 24hrs. All treatments appeared clear/colourless with the test substnace floating at the surface. Mixtures were cooled for one hour without stirring before WAFs were removed.
- Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Details on test organisms:
- Thomas Fish Company, Anderson, CA, USA. Lot 482. Receipt date: 30-Dec-03
For the 13 days prior to use the fish were observed for disease and parasites (for which they had not previously been treated). They were kept at approximately 14.1 °C in dilution water which was aerated continuously to provide a DO concentration of at least 80%. They were held under filtrated static conditions and were fed with Finfish Starter at least 5 days per week. There were no observed mortalities.
72 fish, 29 days post hatch. Mean weight: 0.206 g. Mean total length: 3.1 cm. - Test type:
- semi-static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Post exposure observation period:
- none
- Hardness:
- 104 mg/L as CaCO₃
- Test temperature:
- 13.6 °C (mean) (S.D.=0.1)
- pH:
- 7.3 to 8.1
- Dissolved oxygen:
- 6.8 to 8.6 mg/L
- Salinity:
- NA
- Nominal and measured concentrations:
- 0, 0.40, 0.79, 1.7, 3.7 and 6.3 (mg/L, measured) plus the control
Actual loading rate (mg/l): 0, 0.47, 0.90, 1.8, 3.5 and 7.0 - Details on test conditions:
- Reconstituted UV-sterilized, deionized, well water (Batch 290)
4L aspirator bottles containing approx 4.5L test solution (no headspace)
Aeration
Daily renewal
4 organisms per vessel
3 replicates per concentration
Biomass loading: 0.183 g of fish/L
16 hours light; 8 hours dark
607 to 614 Lux during full daylight periods.
Fish were not fed during the study, nor for 24 hours prior to commencement. - Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 1.1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: actual loading rate
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: 95% CL 1.0-1.3
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 1 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: 95% 0.9-1.2
- Details on results:
- Results have been expressed as the lethal loading/lethal concentration which result in 50% mortality compared to the control for the specified time of exposure
- Results with reference substance (positive control):
- na
- Reported statistics and error estimates:
- LL50 and LC50 (24-96 hour) were determined using a Trimmed Spearman-Karber Method.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The 96-hour LC50 was reported to be 1.0 mg/L.
- Executive summary:
The 96-hour LL50 was reported to be 1.1 mg/L. whilst the LC50 was 1mg/L. This study is GLP compliant and follows a standard guideline. It is considered reliable and suitable for use as a key study.
Referenceopen allclose all
Description of key information
Experimental data on Short Term Toxicity to Fish was available for 1 stream within this Category. The 96h LL50 was 1.1 mg/L (WAF).
In addition to the experimental data, 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 Oncorhynchus mykiss ranged from 4.32 to 13.3 mg/L.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 1.1 mg/L
Additional information
Experimental data:
All studies were provided by ExxonMobil (2003)
CAS No 68513-69-9 and 68921-67-5: The 96-hour LL50 was reported to be 1.1 mg/L, and LC50 1.0 mg/L. The study was GLP compliant and followed a standard guideline, and is therefore considered reliable and suitable for use as a key study. Although the LC50 was reported to be 1.0 mg/L, as the test substance is a hydrocarbon stream with various constituents the reporting of a measured concentration does not relate to the concentration of a raw stream. The results reported as WAF were used instead as they better represent the potential toxicity of the test substance.
QSAR predictions:
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) |
| Oncorhynchus mykiss | 68527-23-1 | 271-264-4 | 5.16 |
| Oncorhynchus mykiss | 64742-83-2 | 265-187-5 | 13.3 |
| Oncorhynchus mykiss | 64742-91-2 | 265-194-3 | 4.86 |
| Oncorhynchus mykiss | 68477-53-2 | 270-736-7 | 10.8 |
| Oncorhynchus mykiss | 68516-20-1 | 271-138-9 | 7.86 |
| Oncorhynchus mykiss | 68527-26-4 | 271-266-5 | 4.32 |
| Oncorhynchus mykiss | 92045-61-9 | 295-443-1 | 9.43 |
| Oncorhynchus mykiss | 68477-39-4 | 270-728-3 | 6.70 |
| Oncorhynchus mykiss | 90989-43-8 | 292-699-6 | 5.74 |
| Oncorhynchus mykiss | 68606-10-0 | 271-726-5 | 7.92 |
| Oncorhynchus mykiss | 94114-03-1 | 302-639-3 | 13.1 |
| Oncorhynchus mykiss | 68921-67-5 | 272-951-1 | 4.44 |
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
