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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 204-127-4 | CAS number: 116-15-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Predicted log Koc is 1.68 L/kg and the Koc is 47.5 L/kg.
Key value for chemical safety assessment
- Koc at 20 °C:
- 47.5
Additional information
The test substance is a non-polar compound which has an estimated log Kow of 1.95 derived using Toxmatcha and is in reasonable agreement with the experimental value of 1.93b. The MW is 150.02. The preferred log Koc is that derived from log Kow when an experimental log Kow is available. Both the log Kow and MW of test substance lie within the range of values defined by the training set (MW range: 78-545; log Kow 1.19-6.91). Since test substance lies within the domain of the QSAR as defined by the parameter values and the mode of action, its prediction is considered valid for use. The predicted log Koc of test substance is 1.68 L/kg. The Koc is 47.5 L/kg.
aToxmatch (Ideaconsult ltd)
bAbraham, M. H. Fluid Phase Equlibria, 180 (2001) 41-58.
The relevant regression equation within KOCWIN v2.0 is: log Koc = 0.8679 log Kow – 0.0004 (where n = 68, r2 =0.877 r2 adj = 0.875 F = 469.18 s = 0.482).
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.
