Registration Dossier
Registration Dossier
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EC number: 236-211-1 | CAS number: 13236-02-7
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
- Justification for type of information:
- KOWWIN estimates the logarithmic octanol-water partition coefficient of organic compounds. KOWWIN uses a "fragment constant" method.
- the query chemical is an organic compound.
- the number of each fragment found in the query chemical does not exceed the maximum number of this fragment that occurs in any individual compound of the training set.
- the molecular weight (MW) of the query chemical (260.28 g/mol) falls in the MW range of the training set of chemicals: 18.02-719.92. - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- KOWWIN v1.68
Because the test substance is UVCB, other experimental studies are difficult to conduct the experiment and calculate exact value of partition coefficient. The value calculated from QSAR is expected to be more correct. - GLP compliance:
- no
- Type of method:
- other: KOWWIN v1.68
- Partition coefficient type:
- octanol-water
- Analytical method:
- not specified
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.94
- Temp.:
- 25 °C
- pH:
- ca. 7
Reference
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.94
- at the temperature of:
- 25 °C
Additional information
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