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EC number: 215-350-1 | CAS number: 1323-03-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Values estimated with the Endpoint estimater in QSAR Toolbox.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- Estimated value based on the various molecular fragments.
- GLP compliance:
- no
- Type of method:
- other: KOWWIN Program (v1.68)
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 5.71
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- The Log Pow for the test material is estimated to be > 4.5.
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Based on trend analysis of data from a publictation
- Principles of method if other than guideline:
- Based on the relation between the logKow and the number of carbons in the alkyl chain.
- GLP compliance:
- no
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.3
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: Based on the relation: LogKow=0.519C-0.966, with C the number of carbons in the alkyl chain.
Referenceopen allclose all
Curve logKow versus number of carbons based on the publication:
| Alkyl lactate | Number of carbon | Log Kow Bowmer |
| propyl lactate | 3 | 0.591 |
| butyl lactate | 4 | 1.11 |
| pentyl lactate | 5 | 1.629 |
| octyl lactate | 8 | 3.186 |
| decyl lactae | 10 | 4.224 |
LogKow=0.519C-0.966
Description of key information
Based on estimation by ECOSAR or Trend analysis, the LogKow ranged from 5.7 to 6.3.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.7
- at the temperature of:
- 25 °C
Additional information
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