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EC number: 482-480-5 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 September 2006 to 28 March 2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- yes
- Remarks:
- Due to difficulties with the analytical method (only a GC method is available) and the solubility of the test material in water, a test according to EU Method A.8 and OECD Guidelines 107/117 (either HPLC or flask shaking) could not be applied.
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.8.
- Deviations:
- yes
- Remarks:
- Due to difficulties with the analytical method (only a GC method is available) and the solubility of the test material in water, a test according to EU Method A.8 and OECD Guidelines 107/117 (either HPLC or flask shaking) could not be applied.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- yes
- Remarks:
- Due to difficulties with the analytical method (only a GC method is available) and the solubility of the test material in water, a test according to EU Method A.8 and OECD Guidelines 107/117 (either HPLC or flask shaking) could not be applied.
- Principles of method if other than guideline:
- Due to difficulties with the analytical method (only a GC method is available) and the solubility of the test material in water, a test according to EU Method A.8 and OECD Guidelines 107/117 (either HPLC or flask shaking) could not be applied. Hence the partition coefficient of the test material was estimated using the solubility data in n-octanol and water as obtained in the preliminary test in the water solubility study.
- GLP compliance:
- yes
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 4.69
- Remarks on result:
- other: At room temperature
- Details on results:
- log Pow = log10 (> 536000 mg/L / < 10.9 mg/L) = > 4.69
- Conclusions:
- The partition coefficient of the test material, calculated from the individual solubilities in n-octanoland water, is log Pow > 4.69.
- Executive summary:
Due to difficulties with the analytical method (only a GC method is available) and the solubility of the test material in water, a test according to EU Method A.8 and OECD Guidelines 107/117 (either HPLC or flask shaking) could not be applied. Hence the partition coefficient of the test material was calculated using the solubility data in n-octanol and water as obtained in the preliminary test in the water solubility study.
The partition coefficient of the test material is calculated to be log Pow > 4.69.
Reference
Description of key information
Due to the difficulties with the analytical method (only a GC method is available) and the solubility of the test material in water, a test according to EU Method A.8 and OECD Guidelines 107 / 117 (either HPLC or flask shaking) could not be applied. Hence the partition coefficient of the test material was calculated using solubility data in n-octanol and in water, obtained during the preliminary test in the water solubility study.
The partition coefficient of the test material is calculated to be log Pow >4.69.
Key value for chemical safety assessment
Additional information
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