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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

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Sediment toxicity

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Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
115 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
22 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass
Remarks:
reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 115 and 22.0 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 115.0 and 22.0 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
144 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
27.6 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 144.0 and 27.6 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 144.0 and 27.6 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
139 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
26.7 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 139.0 and 26.7 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 139.0 and 26.7 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
125 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
23.9 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 125.0 and 23.9 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 125.0 and 23.9 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
142 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
27.2 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 142.0 and 27.2 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 142.0 and 27.2 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
147 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR predition
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
28.2 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 147 and 28.2 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 147 and 28.2 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
146 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
28 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomas/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 146.0 and 28.0 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 146.0 and 28.0 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
123 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
23.5 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 123.0 and 23.5 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 123.0 and 23.5 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
124 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
23.7 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 124.0 and 23.7 mg/kg sediment dw respectively.

Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 124.0 and 23.7 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
149 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
28.6 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR preducted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 149 and 28.6 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 149.0 and 28.6 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
114 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
21.8 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 114.0 and 21.8 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 114.0 and 21.8 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
sediment toxicity: long-term
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):
Lumbriculus variegatus
Duration:
28 d
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
114 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
28 d
Dose descriptor:
other: EL10
Effect conc.:
21.8 mg/kg sediment dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: biomass/ reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 114.0 and 21.8 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB for Lumbriculus variegatus were 114.0 and 21.8 mg/kg sediment dw, respectively. The model used for the predictions was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Description of key information

The sediment 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 Lumbriculus variegatus ranged from 114 to 149 mg/kg sediment dw. The predicted EL10 values for Lumbriculus variegatus ranged from 21.8 to 28.6 mg/kg sediment dw.

Key value for chemical safety assessment

Additional information

 
The PETROTOX v4.0 model for sediment and terrestrial organism calculates the constituent concentration in sediment or soil using the product composition (% mass) along with the total sediment/soil (s/s) loading rate (concentration of the full substance as added to the soil/sediment). The model then uses the equilibrium-partitioning calculations to convert aqueous-based effect concentrations (EC50, mmol/L) to soil or sediment based values (mmol/kg oc) for each constituent using the CTLBB for the soil or sediment organism. Then, it combines the s/s based concentration (mg/kg dw) and the effect concentrations in soil or sediment based values (mmol/kg oc) to compute toxic units for each constituent, which are then summed to determine the overall effect concentration (LC50ss) of the substance.
 
The predicted values were:
Species CAS No. EC No. LL50 / EL50 (mg/kg_dw) EL10 (mg/kg_dw)
Lumbriculus variegatus 68527-23-1 271-264-4 147 28.2
Lumbriculus variegatus 64742-83-2 265-187-5 115 22.0
Lumbriculus variegatus 64742-91-2 265-194-3 144 27.6
Lumbriculus variegatus 68477-53-2 270-736-7 125 23.9
Lumbriculus variegatus 68516-20-1  271-138-9 142 27.2
Lumbriculus variegatus 68527-26-4 271-266-5 146 28.0
Lumbriculus variegatus 92045-61-9 295-443-1 114 21.8
Lumbriculus variegatus 68477-39-4 270-728-3 139 26.7
Lumbriculus variegatus 90989-43-8 292-699-6  149 28.6
Lumbriculus variegatus 68606-10-0 271-726-5 123 23.5
Lumbriculus variegatus 94114-03-1 302-639-3 114 21.8
Lumbriculus variegatus 68921-67-5 272-951-1 124 23.7