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Ecotoxicological information

Toxicity to soil macroorganisms except arthropods

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Endpoint:
toxicity to soil macroorganisms except arthropods: 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:
PETROTOX is a well documented and peer reviewed model that is widely used across the petrochemicals 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. See Attached Justification.
Qualifier:
according to guideline
Guideline:
other: REACH Guideance on QSARs
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 0.960
n-CC5 5 14.35
n-P 4 2.9
n-P 5 33.49
n-P 6 0.96
i-P 5 33.49
i-P 6 12.9
i-Olefin 5 1.0
Total 100.00

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):
Eisenia fetida
Animal group:
annelids
Study type:
other: QSAR
Total exposure duration:
56 d
Reference substance (positive control):
no
Remarks:
Not Required
Duration:
14 d
Dose descriptor:
other: LL50
Effect conc.:
122 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
56 d
Dose descriptor:
other: EL10
Effect conc.:
23.4 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance were 122 and 23.4 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance for Eisenia fetida were 122 and 23.4 mg/kg soil 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 restriction.

Endpoint:
toxicity to soil macroorganisms except arthropods: 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:
PETROTOX is a well documented and peer reviewed model that is widely used across the petrochemicals 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. See Attached Justification.
Qualifier:
according to guideline
Guideline:
other: REACH Guideance on QSARs
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 0.669
n-CC5 5 3.29
n-CC5 6 17.2
n-CC5 7 1.94
n-CC6 6 3.63
n-CC6 7 0.154
n-Olefin 6 0.138
i-Olefin 6 0.361
i-Olefin 7 0.188
n-P 4 0.527
n-P 5 1.40
n-P 6 25.2
n-P 7 0.505
i-P 5 0.437
i-P 6 20.3
i-P 7 23.5
Total 99.5

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):
Eisenia fetida
Animal group:
annelids
Study type:
other: QSAR
Total exposure duration:
56 d
Reference substance (positive control):
no
Remarks:
Not Required
Duration:
14 d
Dose descriptor:
other: LL50
Effect conc.:
154 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
56 d
Dose descriptor:
other: EL10
Effect conc.:
29.5 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance were 154 and 29.5 mg/kg soil dw respectively.
Executive summary:

The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance for Eisenia fetida were 154 and 29.5 mg/kg soil 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:
toxicity to soil macroorganisms except arthropods: 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:
PETROTOX is a well documented and peer reviewed model that is widely used across the petrochemicals 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. See Attached Justification.
Qualifier:
according to guideline
Guideline:
other: REACH Guideance on QSARs
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 3.89
n-CC5 6 43.5
n-CC5 7 8.55
n-CC6 6 12.8
n-CC6 7 0.370
n-P 6 17.00
n-P 7 1.87
i-P 6 0.74
i-P 7 10.8
Total 99.5

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):
Eisenia fetida
Animal group:
annelids
Study type:
other: QSAR
Total exposure duration:
56 d
Reference substance (positive control):
no
Remarks:
Not Required
Duration:
14 d
Dose descriptor:
other: LL50
Effect conc.:
147 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
56 d
Dose descriptor:
other: EL10
Effect conc.:
28.1 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance were 147.0 and 28.1 mg/kg soil dw respectively.
Executive summary:

The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance for Eisenia fetida were 147.0 and 28.1 mg/kg soil 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:
toxicity to soil macroorganisms except arthropods: 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:
PETROTOX is a well documented and peer reviewed model that is widely used across the petrochemicals 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. See Attached Justification.
Qualifier:
according to guideline
Guideline:
other: REACH Guideance on QSARs
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 0.960
n-CC5 5 56.8
n-CC5 6 0.5
n-P 5 4.10
n-P 6 4.08
i-P 5 3.86
i-P 6 29.7
Total 99.97

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):
Eisenia fetida
Animal group:
annelids
Study type:
other: QSAR
Total exposure duration:
56 d
Reference substance (positive control):
no
Remarks:
Not Required
Duration:
14 d
Dose descriptor:
other: LL50
Effect conc.:
122 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
56 d
Dose descriptor:
other: EL10
Effect conc.:
23.5 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance were 122 and 23.5 mg/kg soil dw respectively.
Executive summary:

The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance for Eisenia fetida were 122 and 23.5 mg/kg soil 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:
toxicity to soil macroorganisms except arthropods: 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:
PETROTOX is a well documented and peer reviewed model that is widely used across the petrochemicals 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. See Attached Justification.
Qualifier:
according to guideline
Guideline:
other: REACH Guideance on QSARs
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 3.13
n-CC5 5 31.6
n-CC5 6 6.96
n-CC5 7 1.80
n-CC6 6 31.4
n-CC6 7 1.00
n-P 4 5.14
n-P 5 5.14
n-P 6 3.38
n-P 7 1.90
i-P 4 0.180
i-P 5 2.19
i-P 6 4.74
i-P 7 1.22
Total 99.7

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):
Eisenia fetida
Animal group:
annelids
Study type:
other: QSAR
Total exposure duration:
56 d
Reference substance (positive control):
no
Remarks:
Not Required
Duration:
14 d
Dose descriptor:
other: LL50
Effect conc.:
126 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
56 d
Dose descriptor:
other: EL10
Effect conc.:
24.1 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
reproduction
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance were 126 and 24.1 mg/kg soil dw respectively.
Executive summary:

The QSAR predicted short-term 14-d LL50 (mortality) and long-term 56-d EL10 (reproduction) for the UVCB substance for Eisenia fetida were 126 and 24.1 mg/kg soil 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 terrestrial 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 short-term 14-d LL50 (mortality) values for Eisenia fetida ranged from 122 to 154 mg/kg soil dw. The predicted long-term 56-d EL10 (reproduction) values for Eisenia fetida ranged from 23.4 to 29.5 mg/kg soil dw.

Key value for chemical safety assessment

Additional information

The PETROTOX v4.0 computer model for sediment terrestrial organism predicts 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 (mg/kg dw) EL10 (mg/kg dw)
Eisenia fetida 92128-65-9 295-762-6 126 24.1
Eisenia fetida 64742-49-0 265-151-9 147 28.1
Eisenia fetida 64741-84-0 265-086-6 154 29.5
Eisenia fetida 68476-55-1 270-695-5 122 23.5
Eisenia fetida 102110-14-5 310-012-0 122 23.4