Registration Dossier
Registration Dossier
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EC number: 201-788-0 | CAS number: 87-99-0
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:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Principles of method if other than guideline:
- KOWWIN v1.68
QMRF and QPRF are attached in IUCLID - GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- -2.56
- Remarks on result:
- other: temperature and pH not reported
- Conclusions:
- LogKow: -2.56
- Executive summary:
The results were predicted with the EPIWIN model KOWWIN 1.68. Both a model validation and a judgment of the reliability of the predictions based on the chemical domain were performed. The LogKow is -2.56.
Reference
Supporting documentation is provided in the attached QPRF and QMRF.
Description of key information
Predicted by KOWWIN v1.68
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.56
- at the temperature of:
- 22 °C
Additional information
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