Registration Dossier
Registration Dossier
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EC number: 276-974-8 | CAS number: 72901-31-6
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:
- 2017
- 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
- Principles of method if other than guideline:
- - Software tool(s) used including version: see attachment
- Model(s) used: EPISUITE
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see filed Attached justification - GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 15.08
- Temp.:
- 25 °C
- pH:
- ca. 7
- Conclusions:
- The KOWWIN Program (v1.68) estimate is 15.08.
- Executive summary:
The KOWWIN Program (v1.68) estimate is 15.08.
Reference
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 15
- at the temperature of:
- 25 °C
Additional information
Due to the long aliphatic chains the octanol-water partition coefficient of the substance is very high, indicating that the bioavailability based on passive diffusion is likely to be very low. The experimental log Kow of the read across source substance could not be determined and was greater than the highest value that can be determined by the applied method. Therefore this result confirms the prediction of the QSAR model.
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