Registration Dossier
Registration Dossier
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EC number: 267-135-7 | CAS number: 67801-15-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The Partition coefficient n-octanol/water is Log Pow 4.4
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.4
Additional information
The partition coefficient of the test material was estimated using the calculation software KOWWIN v. 1.68 (EPISuite v 4.1). The calculation was performed with a validated model and is considered to be a good representation of the physical-chemical properties of the substance. The calculation was therefore assigned a reliability score of 2 in accordance with the criteria for assessing data quality, as outlined in Klimisch (1997).
A supporting study was provided in the form of a partition coefficient study on the analogue substance, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-ol (Ebanol). The partition coefficient was determined by the OECD Guidelines for Testing of Chemicals, Method No. 117 and performed according to GLP and was therefore assigned a reliability score of 2. The partition coefficient of Ebanol (Log Kow) was determined to be 4.2. The results were included to demonstrate comparability in the physical-chemical properties between the two substances since data on Ebanol has been used in this dossier to address certain endpoints for 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-one (Ebanone) on the basis of read-across (for further details see read-across justification document, attached in section 13).
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