Registration Dossier
Registration Dossier
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EC number: 240-566-8 | CAS number: 16499-88-0
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:
- 17 March 2014 - 31 March 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch no.of test material: 1102/2014 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.05
- Temp.:
- 20 °C
- Remarks on result:
- other: based on EPI Suite computer estimation (KOWWIN v1.68)
- Conclusions:
- The Log Kow of the test item was estimated to be 1.05 (KOWWIN v1.68).
Reference
Preliminary estimation
| Mass of sample (mg) | Volume of octanol in which sample dissolves (mL) | Estimated solubility (g/L) |
| 10,000 | 10 | >1,000 |
Main test
The test material was found to be fully miscible in water and n-octanol, therefore formal testing was not possible. In accordance with the test guidance the Partition Coefficient was
estimated using prediction software (KOWWIN v1.68).
The calculated logPow using SMILES input was 1.05.
Description of key information
Based on a guideline study (K1, Dekra, 2014), the test material was found to be insoluble and fully miscible in octanol ratios of 1:1, 1:2 and 2:1 of test material / octanol. Therefore, the partition coefficient of the test item was calculated to be: Log Kow (KOWWIN v1.68 estimated) = 1.05.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.05
- at the temperature of:
- 20 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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