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EC number: 204-465-2 | CAS number: 121-33-5
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR but used for the weight of evidence
- Justification for type of information:
- QSAR prediction.
- Principles of method if other than guideline:
- other (calculated)
- Partition coefficient type:
- other: calculated
- Type:
- log Pow
- Partition coefficient:
- 1.29 - 1.33
- Remarks on result:
- other: no data available on pH and T°C
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Remarks:
- Studies not well documented but meet the general OECD Guideline 107 requirements.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 1.17
- Temp.:
- 25 °C
- Remarks on result:
- other: no information on pH
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Remarks:
- Study not well documented but meets the general OECD Guideline 107 requirements.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- log Pow
- Partition coefficient:
- 1.21
- Temp.:
- 25 °C
- Remarks on result:
- other: no data available on pH
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Guideline:
- other: no data
- Type:
- log Pow
- Partition coefficient:
- 1.21
- Remarks on result:
- other: no data available on pH and T°C
Referenceopen allclose all
No information on pH and temperature.
No raw data is given.
No information on pH.
No information on pH and temperature.
Description of key information
Experimental data: 1.17 to 1.21 (at 25°C)
Calculated values: 1.29 to 1.33
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.17
- at the temperature of:
- 25 °C
Additional information
Different values from literature are reported. No key study is selected and a "weight of evidence" approach is applied.
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