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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 203-870-1 | CAS number: 111-44-4
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Water solubility:
- 6 435 mg/L
- at the temperature of:
- 25 °C
Additional information
For the water solubility a QSAR calculation using the QSAR tool EPIWIN 4.1 was performed. This well accepted QSAR tool resulted in a water solubility of 6435 mg/L and was considered to be Klimisch 2 information.
Beside the calculated value information further information on the water solubility is available from
· a BUA assessment report (Klimisch 2)
· an experimental result ( VEITH,GD ET AL. (1980) as cited by EPIWIN this information was provided together with the EPIWIN QSAR since it was cited by the QSAR tool, Klimisch 4)
· the GESTIS data base (Klimisch 4).
The water solubility as provided in the BUA assessment report is 10200 mg/L. This assessment is reviewed.
The experimental value cited in the EPIWIN QSAR tool indicated a water solubility of 17200 mg/L.
In the GESTIS database the water solubility was reported as 10 mg/L without background.
From the available data, the value reported in the GESTIS data base is a clear outlier. Since the quality of the GESTIS information cannot be assessed, this information is considered as less reliable than the other information. Consequently, this information will not be used for the further assessment.
All other information indicates high water solubility. Since no information on the experimental details were provided in for the information from the GESTIS data base and the BUA assessment the result of the QSAR analysis will be reported.
The water solubility of 6435 mg/L will be used for the further assessment.
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.
