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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 617-441-5 | CAS number: 83121-18-0
Dissociation constant
Administrative data
Link to relevant study record(s)
Description of key information
The extrapolated dissociation constant of the test item in water was 9.7 ± 0.3 at 20 °C.
Key value for chemical safety assessment
- pKa at 20°C:
- 9.7
Additional information
Key study
BATELLE (2003)
A study was conducted according to OECD Guideline 112 to determine the dissociation constant of the test item. A saturated solution of the test item (approximately 1E7 mol/L) gave a too low absorbance to allow any accurate measurement. Water/methanol mixture was used to obtain higher absorbance due to increased solubility. The obtained experimental value was corrected since the alcohol content in the final solution exceeded 1 %. A set of ten values of pka was obtained from absorbance and pH measurements of these solutions. The dissociation constant of the test item in water/methanol (33/67) was experimentally found to be 9.2 ± 0.3 at 20 °C. The extrapolated dissociation constant of the test item in water was 9.7 ± 0.3 at 20 °C.
Supporting information
RCC (1988)
Because the water solubility of test item is very low (< 5E5 g/L; data submitted by the sponsor) no significant absorbance can be obtained at a saturated concentration of the test substance in water. Hence, the dissociation constants of the test item in water cannot be determined using the methods as outlined in the test guidelines.
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.
