Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 200-296-3 | CAS number: 56-89-3
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
An experimental study was not performed because measurements should be made on ionizable substances only in their non-ionized form.
The calculation was performed using KOWWIN v.1.67 (U.S. Environmental Protection Agency) on a personal computer running Windows XP. The structure is entered into KOWWIN by SMILES notations. KOWWIN uses a "fragment constant" methodology to predict log KOW. For a complete description of KOWWIN's methodology see W.M. Meylan and P.H. Howard, "Atom/Fragment Contribution Method for Estimating Octanol-Water Partition Coefficients", Journal of Pharmaceutical Sciences, Vol. 84, No. 1, January 1995, p. 83 - 91.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4.34
Additional information
The calculation can be considered reliable and suitable for use as the key study for this endpoint.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
