Registration Dossier
Registration Dossier
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EC number: 406-940-1 | CAS number: 126019-82-7 DP 211
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Estimated Log Pow= 19 - 20 at 25°C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 20
- at the temperature of:
- 25 °C
Additional information
The preliminary calculation and an appraisal of the chemical structure of the test compound leads to the conclusion that it is not sensible either to carry out a preliminary experiment nor to attempt the measurement of log Pow. The extremely low water solubility which is expected from the calculated log Pow exempts the partition coefficient from being measured. Therefore log Pow is estimated by the calculation method.
The calculation was based on fragment method using KOWWIN (v1.68) module of software EPI Suite v.4.11. The molecular weight of the structures is outside of range of training and validation set. Therefore, the estimate may be less accurate.
The QSPR software complies with the OECD principles which stated in “QSPR prediction of physico-chemical properties for REACH” and was published in the SAR and QSAR in Environment Research in 2013 (Dearden, J.C., Rotureau, P., Fayet G. (2013). QSPR prediction of physico-chemical properties for REACH, SAR and QSAR in Environmental Research, Vol. 24, No.4, 279-318).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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