Registration Dossier
Registration Dossier
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EC number: 225-533-8 | CAS number: 4904-61-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient n-octanol/water of 1,5,9-cyclododecatriene is log Kow = 4.50 at 23 °C (shake-flask method, OECD TG 107).
Key value for chemical safety assessment
- at the temperature of:
- 20 °C
Additional information
Various studies have been performed. The resulting values for log Kow vary with the method:
Shake-flask: 4.10 - 4.50
HPLC: 5.65 - 5.77
Slow stirring: 6.80
QSAR: 5.08 - 5.34
The shake-flask values are preferred since they were determined with the primary method. HPLC and QSAR are indirect methods, and the slow stirring result may have been affected by insufficient equilibration since the substance was added to the octanol phase and its transfer to the aqueous phase is very slow. The highest shake-flask result was selected as key study in order to reflect the observation that the other methods led to higher values.
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