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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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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:
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 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 7 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 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.:
113 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.:
21.6 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 113 and 26.1 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 113 and 26.1  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:
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 0.77
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 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.:
141 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.:
27.1 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 141 and 27.1 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 141 and 27.1 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:
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)
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):
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.:
137 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.:
26.2 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 137 and 26.2 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 137 and 26.2 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:
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)
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 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 122 and 23.4 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of 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 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:
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)
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 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.:
139 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.:
26.7 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 139 and 26.7 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 139 and 26.7 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:
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 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):
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.:
145 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.:
27.7 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 145 and 27.7 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 145 and 27.7 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:
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)
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):
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.:
144 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.:
27.5 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 144 and 27.5 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 144 and 27.5 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:
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)
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):
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.:
120 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 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 120 and 23.0 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 120 and 23.0 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:
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)
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):
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.:
23.3 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 122 and 23.3 mg/kg soil dw, respectively.

Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 122 and 23.3 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:
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)
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):
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.:
146 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 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 146 and 28.0  mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 146 and 28.0 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:
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)
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 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.:
112 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.:
21.4 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 112 and 21.4 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 112 and 21.4 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 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:
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)
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):
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.:
112 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.:
21.4 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 14-d LL50 (mortality) and 56-d EL10 (reproduction) for E. fetida were 112 and 21.4 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 14-d LL50 (mortality) and 56-d EL10 (reproduction) of the UVCB substance for Eisenia fetida were 112 and 21.4 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 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 LL50 values for Eisenia fetida ranged from 112 to 146 mg/kg soil dw.The predicted EL10 values for Eisenia fetida ranged from 21.4 to 28 mg/kg soil dw.

Key value for chemical safety assessment

Additional information

The PETROTOX v4.0 model for sediment 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)
Eisenia fetida 68527-23-1 271-264-4 145 27.7
Eisenia fetida 64742-83-2 265-187-5 113 21.6
Eisenia fetida 64742-91-2 265-194-3 141 27.1
Eisenia fetida 68477-53-2 270-736-7 122 23.4
Eisenia fetida 68516-20-1  271-138-9 139 26.7
Eisenia fetida 68527-26-4 271-266-5 144 27.5
Eisenia fetida 92045-61-9 295-443-1 112 21.4
Eisenia fetida 68477-39-4 270-728-3 137 26.2
Eisenia fetida 90989-43-8 292-699-6  146 28.0
Eisenia fetida 68606-10-0 271-726-5 120 23.0
Eisenia fetida 94114-03-1 302-639-3 112 21.4
Eisenia fetida 68921-67-5 272-951-1 122 23.3