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EC number: 211-694-1 | CAS number: 687-47-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- QSAR based on two measured values (for Methyl lactate and 2-ethylhexyl lactate) and EPISuite generated values.
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.31
- Temp.:
- 20 °C
- Remarks on result:
- other: QSAR-generated, based on measured values for ML and 2-EHL
- Conclusions:
- The log Kow value for ethyl (S)-lactate is 0.31 at 20 °C.
- Executive summary:
The EPI Suite-generated log Kow value for ethyl (S)-lactate is 0.31 at 20 °C.
Reference
Description of key information
The EPISuite-generated log Kow value for ethyl (S)-lactate is 0.31 at 20 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.31
- at the temperature of:
- 20 °C
Additional information
The log Kow for methyl lactate (ML) and 2-ethylhexyl lactate (2-EHL) was measured using the OECD 117 HPLC method, yielding –0.2 for ML and 3.3 for 2-EHL. EPISuite-generated values for ML and 2-EHL are -0.67 and 2.69, respectively. Correlating EPISuite-generated values with experimental values yields the following property-property relationship: log Kow = 1.0417 × EPI-log-Kow + 0.4979 EPISuite generated log Kow value for ethyl (S)-lactate is –0.18. So the log Kow for ethyl (S)-lactate is 1.0417 × –0.18 + 0.4979 = 0.31
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