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Ecotoxicological information

Short-term toxicity to aquatic invertebrates

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Endpoint:
short-term toxicity to aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
23.3 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 23.3 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 23.3 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 aquatic invertebrates
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 0.85
n-CC5 5 2.11
n-CC5 6 1.45
n-P 4 0.12
n-P 5 7.27
n-P 6 1.63
i-P 5 23.39
i-P 6 15.62
n-Olefin 4 0.3
n-Olefin 5 17.22
n-Olefin 6 3.85
i-Olefin 5 18.15
i-Olefin 6 7.37
Total 99.33

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):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
8.48 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 8.48 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 8.48 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
12.1 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 12.1 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 12.1 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
22.3 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 22.3 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 22.3 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
13.7 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 13.7 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 13.7 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
9.01 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 9.01 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 9.01 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
8.02 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 8.02 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 8.02 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
14.5 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 14.5 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 14.5 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
7.79 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 7.79 mg/L.

Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 7.79 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
10.7 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 10.7 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 10.7 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
17.7 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 17.7 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 17.7 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 aquatic invertebrates
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.
Analytical monitoring:
not required
Test organisms (species):
Daphnia magna
Test type:
other: QSAR
Total exposure duration:
48 h
Reference substance (positive control):
not required
Key result
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
22.9 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mobility
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 48-h EL50 (mobility) for D. magna was 22.9 mg/L.
Executive summary:

The QSAR predicted 48-h EL50 (mobility) of the UVCB substance for Daphnia magna was 22.9 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 aquatic invertebrates
Type of information:
experimental study
Adequacy of study:
key study
Study period:
22-Jan-2004 to 24-Jan-2004
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP compliant, guideline, available as an unpublished report, fully acceptable, no restrictions
Qualifier:
according to guideline
Guideline:
OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
Deviations:
yes
Remarks:
The concentration of the test substance in solution was not determined prior to use. Due to the limited solubility of the test substance, it may not have been possible to demonstrate that the initial concentration was maintained throughout the test. It wa
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:
Water quality measurements performed on Day 0 and at termination. Observations for immobilization of daphnids were made at 24 and 48 hours. No undissolved test substnace was observed in any of the test chambers.
Vehicle:
no
Details on test solutions:
Individual treatments were prepared by adding test substance to 12.0 L of vehicle/dilution water in glass aspirator bottles and stirring for 24hrs. WAFs were removed after one hour without stirring. All treatments appeared clear and colorless.
Test organisms (species):
Daphnia magna
Details on test organisms:
cultured in house. <24 hours old from 15 day old parents
not fed during the study
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
48 h
Post exposure observation period:
none
Hardness:
144 mg/L as CaCO3
Test temperature:
20.1°C (S.D. = 0.1)
pH:
8.1 to 8.3
Dissolved oxygen:
7.9 to 8.1 mg/L
Salinity:
NA
Nominal and measured concentrations:
Measured concentrations: 0, 0.07, 0.14, 0.82, 1.7, 4.2
Actual loading rates: Control, 0.17, 0.33, 0.83, 1.8, 4.1
Details on test conditions:
Individual Water Accommodated Fractions were prepared for each treatment.
125ml Erlenmeyer flasks
No headspace with no aeration
5 daphnids in each replicates
4 replicates per concentration
Diurnal light: approximately 16 hours light and 8 hours dark.
91 to 135 lux during full daylight periods.
Duration:
48 h
Dose descriptor:
EC50
Effect conc.:
1.2 mg/L
Nominal / measured:
meas. (not specified)
Conc. based on:
test mat.
Basis for effect:
mobility
Remarks on result:
other: 99% CL: 0.82-1.7 mg/L
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
1.2 mg/L
Nominal / measured:
nominal
Conc. based on:
other: loading rate
Basis for effect:
mobility
Remarks on result:
other: 99% CL: 0.83-1.8 mg/L
Details on results:
EL50-24 hr: 2.7, EC50-24 hr: 2.7
Results with reference substance (positive control):
no data
Reported statistics and error estimates:
The 24- and 48-hour EL50 and EC50 values were determined using a binomial method.

no further details

Validity criteria fulfilled:
yes
Conclusions:
After Daphnia magna were exposed to WAFs prepared from Pyrolysis C10+ Fuel Oil for 48 hours, the EL50 was 1.2 mg/L and EC50 was 1.2 mg/L.
Executive summary:

After Daphnia magna were exposed to WAFs prepared from Pyrolysis C10+ Fuel Oil for 48 hours, the EL50 was 1.2 mg/L and EC50 was 1.2 mg/L. This study was GLP compliant and followed a standard guideline. It is considered reliable and suitable for use as a key study.

Description of key information

Short term toxicity to aquatic invertebrates experimental data was available for 1 stream within this Category. The 48 hour EC50 was 1.2 mg/L and the 48 hour EL50 was 1.2 mg/L.

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 EL50 values for Daphnia magna ranged from 7.79 to 23.3 mg/L.

Key value for chemical safety assessment

Additional information

Experimental data:

CAS No 68513-69-9 and 68921-67-5: After Daphnia magna were exposed to WAFs prepared from Pyrolysis C10+ Fuel Oil for 48 hours, the EL50 was 1.2 mg/L and EC50 was 1.2 mg/L. This study was GLP compliant and followed a standard guideline. It is considered reliable and suitable for use as a key study.

 

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)

Daphnia magna

68527-23-1 271-264-4 9.01
Daphnia magna 64742-83-2 265-187-5 23.3
Daphnia magna 64742-91-2 265-194-3 8.48
Daphnia magna 68477-53-2 270-736-7 22.3
Daphnia magna 68516-20-1  271-138-9 13.7
Daphnia magna 68527-26-4 271-266-5 8.02
Daphnia magna 92045-61-9 295-443-1 17.7
Daphnia magna 68477-39-4 270-728-3 12.1
Daphnia magna 90989-43-8 292-699-6  10.7
Daphnia magna 68606-10-0 271-726-5 14.5
Daphnia magna 94114-03-1 302-639-3 22.9
Daphnia magna 68921-67-5 272-951-1 7.79