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EC number: 947-523-9 | 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:
- June 27, 2017 - December 11, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- estimation method (solubility ratio)
- Specific details on test material used for the study:
- - Analytical purity: 100% (UVCB)
- Purity test date: 06 June 2017
- Lot/batch No.: 180517GT41
- Expiration date of the lot/batch: 31 December 2017
- Appearance: Beige pasty solid
- Storage: At room temperature - Key result
- Type:
- log Pow
- Partition coefficient:
- 0.8
- Temp.:
- 20 °C
- Remarks on result:
- other: estimation method
- Conclusions:
- The partition coefficient of the test material calculated using the n-octanol solubility and the critical micelle concentration is 6.9 (log Pow = 0.8).
- Executive summary:
The n-octanol/water partition coefficient Pow of the test item was determined in a GLP-compliant study performed in accordance with EU Method A.8 and OECD Guidelines No. 107/117, using the estimation method. The partition coefficient of the test material calculated using the n-octanol solubility and the critical micelle concentration is 6.9 (log Pow = 0.8).
Reference
The n-octanol solubility of the test item at 20.0 ± 0.2°C was estimated to be 276 mg/L. The critical micelle concentration at 20.0 ± 0.2°C was estimated to be 39.9 mg/L. This results in a Pow of 6.9 corresponding with a log Pow of 0.8.
Description of key information
The n-octanol/water partition coefficient Pow of the test item was determined in a GLP-compliant study performed in accordance with EU Method A.8 and OECD Guidelines No. 107/117, using the estimation method. The partition coefficient of the test material calculated using the n-octanol solubility and the critical micelle concentration is 6.9 (log Pow = 0.8).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.8
- at the temperature of:
- 20 °C
Additional information
The n-octanol/water partition coefficient log Pow of the test item was determined in one GLP-compliant study performed in accordance with standard methods, without deviations. The study is considered as reliable (Klimisch 1) and is selected as a key study for the endpoint.
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