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EC number: 214-244-2 | CAS number: 1117-31-3
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- Calculation based on KOWWIN v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 1.31
- Remarks on result:
- other: pH and temp not applicable
Reference
QSAR result; pH and temperature are not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
log Pow = 1.31
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.31
Additional information
The partition coefficient of the substance 1,3-butylene diacetate (CAS 1117-31-3) was determined by QSAR calculation with KOWWIN (v1.68).
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