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EC number: 944-753-1 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 4/10/2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The information is derived from a reliable non-GLP in-house study according to OECD TG 117 (HPLC).
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.3
- Temp.:
- 25 °C
- Remarks on result:
- other: pH is not provided but not considered critical
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 25 °C
- Remarks on result:
- other: pH is not provided but not considered critical
- Details on results:
- The log Kow of 4.3 is selected as a key value because it can be related to the two major isomers on the basis of KOWWIN calculations. This model predicts a log Kow of 3.99 for the terpinyl bond (double bond with methyl group) and for the external double bond a log Kow of 4.07. The pH is assessed not to be critical based on the absence of acidic and basic structural features of Oxaspirane-819 and in its molecular structure.
- Conclusions:
- The partition coefficient of Oxaspirane-819 has been determined as log P = 4.3 at 25°C in a study equivalent to OECD Guideline 117 (HPLC method) in a reliable non-GLP study.
- Executive summary:
The partition coefficient of Oxaspirane-819 has been determined as log P = 4.3 and 4.4 at 25°C in a study equivalent to OECD Guideline 117 (HPLC Method). The log Kow of 4.3 is selected as a key value because it can be related to the two major isomers on the basis of KOWWIN calculations. This model predicts a log Kow of 3.99 for the terpinyl bond (double bond with methyl group) and for the external double bond a log Kow of 4.07.
Reference
Description of key information
The partition coefficient of Oxaspirane-819 has been determined as log P = 4.3 and 4.4 at 25°C in a study equivalent to OECD Guideline 117 (HPLC Method). The log Kow of 4.3 is selected as a key value because it can be related to the two major isomers on the basis of KOWWIN calculations. This model predicts a log Kow of 3.99 for the terpinyl bond (double bond with methyl group) and for the external double bond a log Kow of 4.07.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.3
- at the temperature of:
- 25 °C
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