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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 % weight
i-Olefin 12 100

Total 100
Test organisms (species):
Lumbriculus variegatus
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
5 970 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.:
1 144 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 LL50 and EL10 for the UVCB substance were 5970 and 1144 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted LL50 and EL10 for the UVCB substance for Lumbriculus variegatus were 5970 and 1144 mg/kg sediment dw, respectively. The model used for the calculations 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 % weight
i-Olefin 16 100

Total 100
Test organisms (species):
Lumbriculus variegatus
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
1 294 570 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.:
248 002 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 LL50 and EL10 for the UVCB substance were 1294570 and 248002 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted LL50 and EL10 for the UVCB substance for Lumbriculus variegatus were 1294570 and 248002 mg/kg sediment dw, respectively. The model used for the calculations 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 % weight
i-Olefin 20 100

Total 100
Test organisms (species):
Lumbriculus variegatus
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
1 294 570 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.:
248 002 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 LL50 and EL10 for the UVCB substance were 1294570 and 248002 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted LL50 and EL10 for the UVCB substance for Lumbriculus variegatus were 1294570 and 248002 mg/kg sediment dw, respectively. The model used for the calculations 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 % weight
i-Olefin 8 100

Total 100
Test organisms (species):
Lumbriculus variegatus
Duration:
28 d
Dose descriptor:
other: LL50
Effect conc.:
221 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.:
42.3 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 LL50 and EL10 for the UVCB substance were 221 and 42.3 mg/kg sediment dw respectively.
Executive summary:

The QSAR predicted LL50 and EL10 for the UVCB substance for Lumbriculus variegatus were 221 and 42.3 mg/kg sediment dw, respectively. The model used for the calculations 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 predicted LL50 values for Lumbriculus variegatus ranged from 221 to 1294570 mg/kg sediment dw. The predicted EL10 values for Lumbriculus variegatus ranged from 42.3 to 248002 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 Carbon No. LL50 / EL50 (mg/kg_dw) EL10 (mg/kg_dw)
Lumbriculus variegatus C8 221 42.3
Lumbriculus variegatus C12 5970 1144
Lumbriculus variegatus C16 1294570 248002
Lumbriculus variegatus C20 1294570 248002