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EC number: 613-906-1 | CAS number: 66212-25-7
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:
- 2002
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.23
- Temp.:
- 25 °C
- Remarks on result:
- other: 95% confidence limits 2.01 - 2.45
- Conclusions:
- The n-octanol/water partition coefficient of the test substance was determined according to EU Testing Guideline A.8 (HPLC method based on OECD guideline no. 117) to be log Pow = 2.23 (95 % confidence limits 2.01 - 2.45) which indicates considerable lipophilicity.
- Executive summary:
The n-octanol/water partition coefficient of the substance was determined according to EU Testing Guideline A.8 (HPLC method based on OECD guideline no. 117) to be log Pow = 2.23 (95 % confidence limits 2.01 - 2.45) at 25 °C. The method is based on the correlation of the reversed phase retention data of the test compound with those of reference compounds with known log Pow values.
Reference
The method correlates the reversed phase HPLC retention data for the test compound (log k' values, k' = (tR - to)/to, tR = retention time, to = dead time) with those for a series of reference compounds with known log Pow values in a linear regression calculation. The log k' values of the reference compounds were correlated with their known log Pow values to give the calibration line. The log Pow value of the test compound was calculated from its log k' and the calibration line.
Description of key information
The n-octanol/water partition coefficient of the substance was determined according to EU Testing Guideline A.8 (HPLC method based on OECD guideline no. 117) to be log Pow = 2.23 (95 % confidence limits 2.01 - 2.45) at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.23
- at the temperature of:
- 25 °C
Additional information
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