Registration Dossier
Registration Dossier
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EC number: 289-991-0 | CAS number: 90052-75-8
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:
- Jan 5, 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- 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
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: QSAR calculation
- Partition coefficient:
- >= 17.49 - <= 32.14
- Remarks on result:
- other: QSAR result, therefore, temperature and pH are not available
- Conclusions:
- The log Pow was calculated (QSAR) with KOWWIN. Due to the fact that this substance is a long chain hydrocarbon which exceeds the applicability domain of KOWWIN the value for log Pow is reported with restrictions.
The applicability domain covers log Pow up to 10 (maximum) so these values should be given as log Pow > 10.
The concrete value is reported to show the high lipophilic nature of the substance.
Reference
For detailed information see attached Report.
Description of key information
log Pow > 10 (QSAR, KOWWIN v1.68)
Key value for chemical safety assessment
Additional information
The log Pow of the substance was estimated by QSAR calculation with KOWWIN (v1.68) for the single components.
As the calculated value exceeds the applicability domain of the model, the value is reported as log Pow > 10.
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