Registration Dossier
Registration Dossier
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EC number: 203-894-2 | CAS number: 111-67-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Non-GLP, guideline study, published in peer reviewed literature, no restrictions fully adequate for assessment
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.47
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- Temperature and pH not stated so assumed.
- Conclusions:
- The log Kow of 1-octene is 4.47
- Executive summary:
This published study is conducted to OECD guidelines. It is therefore considered reliable and suitable for use as the key study for this endpoint.
Reference
no further information
Description of key information
A trend of increasing partition coefficient with increasing carbon number is seen for category members.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.47
- at the temperature of:
- 20 °C
Additional information
Partition coefficient increases with increasing carbon number across the category, with a very similar trend for both the alpha olefins and olefins. Data is available for category members with carbon numbers of C6 to C24. Two QSAR have been used to support the experimental data and to fill data gaps.
The smallest category members have log Kow above 3. The log Kow rises to >6.5 by around C10 -C12. Experimental methods to determine partition coefficient are unable to determine partition coefficients above this. Therefore, although some experimental data is available for category members with higher carbon number the results are expressed as unbounded values or >6.5, >8 etc. The QSAR values indicate that partition coefficient continues to increase with carbon number, reaching log Kow >10 by around C20.
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