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EC number: 275-062-7 | CAS number: 70955-71-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Due to the complex nature of the test item (UVCB), estimation of the partition coefficient was performed using QSAR. These estimations were done according to REACH guidance on QSARs R.6 May/July 2008.
Depending of the estimation programs used, the partition coefficient of the test item was considered to be between 3.85 and 5.51. Then, test item is then considered as potentially bioaccumulable.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.51
- at the temperature of:
- 20 °C
Additional information
Due to the complex nature of the test item, predictions were investigated regarding the partition coefficient.
The experimental determination of this parameter will be very difficult and probably not possible to perform. Indeed, the methods described in recognized international guidelines are relevant for pure substance. The OECD guidelines N°107 specify:
- “The Nernst partition law applies at constant temperature, pressure and pH for dilute solutions. It strictly applies to a pure substance dispersed between two pure solvents and when the concentration of the solute in either phase is not more than 0.01 mol per litter” The Nernst partition law is the principle on which the partition coefficient is defined.
The main representatives isomers have been chosen to perform QSAR predictions. The validities of the programs used for the estimation regarding the chosen isomers have been verified.
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