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Ecotoxicological information

Toxicity to soil microorganisms

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Endpoint:
toxicity to soil microorganisms
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'
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.
Test organisms (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
1 761 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
337 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 1761 and 337 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 1761 and 337 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 microorganisms
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'
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.
Test organisms (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
2 207 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
423 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 2207 and 423 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 2207 and 423 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 microorganisms
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'
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 (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
2 134 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR predicted value
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
409 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR predicted value
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 2134 and 409 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 2134 and 409 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 microorganisms
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'
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.
Test organisms (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
1 908 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
365 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 1908 and 365 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 1908 and 365 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 microorganisms
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'
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.
Test organisms (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
2 175 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
417 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 2175 and 417 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 2175 and 417 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 microorganisms
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'
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 (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
2 255 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
432 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 2255 and 432 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 2255 and 432 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 microorganisms
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'
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 (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
2 238 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
429 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 2238 and 429 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 2238 and 429 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 microorganisms
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'
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 (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
1 876 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
359 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 1876 and 359 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 1876 and 359 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 microorganisms
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'
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 (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
1 896 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
363 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 1896 and 363 mg/kg soil dw, respectively.

Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 1896 and 363 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 microorganisms
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'
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 (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
2 283 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
437 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 2283 and 437 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 2283 and 437 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 microorganisms
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'
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.
Test organisms (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
1 744 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
334 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 1744 and 334 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 1744 and 334 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 microorganisms
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'
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 (inoculum):
other: Nitrobacter
Total exposure duration:
24 h
Duration:
24 h
Dose descriptor:
other: EL50
Effect conc.:
1 740 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Duration:
24 h
Dose descriptor:
other: EL10
Effect conc.:
333 mg/kg soil dw
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
other: Nitrite utilization
Remarks on result:
other: QSAR predicted value
Conclusions:
The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) for Nitrobacter bacteria were 1740 and 333 mg/kg soil dw, respectively.
Executive summary:

The QSAR predicted 24-h EL50 (nitrite utilization) and 24-h EL10 (nitrite utilization) of the UVCB substance for Nitrobacter bacteria were 1740 and 333 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 estimated by a QSAR, the PETROTOX v4.0 computer model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. The substances of this category fit within the criteria of the model and there are no reservations about the validity of the model runs. The predicted EL50 values for Nitrobacter ranged from 1740 to 2283 mg/kg soil dw. The predicted EL10 values for Nitrobacter ranged from 333 to 437 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)
Nitrobacter 68527-23-1 271-264-4 2255 432
Nitrobacter 64742-83-2 265-187-5 1761 337
Nitrobacter 64742-91-2 265-194-3 2207 423
Nitrobacter 68477-53-2 270-736-7 1908 365
Nitrobacter 68516-20-1  271-138-9 2175 417
Nitrobacter 68527-26-4 271-266-5 2238 429
Nitrobacter 92045-61-9 295-443-1 1744 334
Nitrobacter 68477-39-4 270-728-3 2134 409
Nitrobacter 90989-43-8 292-699-6  2283 437
Nitrobacter 68606-10-0 271-726-5 1876 359
Nitrobacter 94114-03-1 302-639-3 1740 333
Nitrobacter 68921-67-5 272-951-1 1896 363