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EC number: 911-616-2 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Remarks:
- The determination of the partition coefficient for the substance is difficult due to its composition (reaction mass) and due to the fact that it is a surfactant which is ionisable. The proposed approach in the Guidance on information requirements and chemical safety assessment R.7.1.8 for surfactants was followed. Thus the comparison was performed of measured solubilities in octanol and water, using for the latter the critical micelle concentration in water as the solubility limit.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The proposed approach in the Guidance on information requirements and chemical safety assessment R.7.1.8 for surfactants was followed.
- GLP compliance:
- no
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 1.17
- Remarks on result:
- other: LogPow of C16MES was calculated as the Quotient of the n-octanol solubility (see section 4.9) and the CMC (see section 4.8) of C16MES
- Type:
- log Pow
- Partition coefficient:
- 1.74
- Remarks on result:
- other: LogPow of C18MES was calculated as the Quotient of the n-octanol solubility (see section 4.9) and the CMC (see section 4.8) of C18MES
Reference
Description of key information
The calculated logPow of C16MES was determined to be 1.17
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.17
- at the temperature of:
- 25 °C
Additional information
The proposed approach in the Guidance on information requirements and chemical safety assessment R.7.1.8 for surfactants was followed. Thus the comparison was performed of measured solubilities in octanol and water, using for the latter the critical micelle concentration in water as the solubility limit.
Both calculated values will be used separately for the separate CSA of both components:
Key value for CSA for C16MES is 1.17
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