Registration Dossier
Registration Dossier
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EC number: 202-918-9 | CAS number: 101-14-4
Dissociation constant
Administrative data
Link to relevant study record(s)
Description of key information
The test was waived based on
1. the substance contains structurally related impurities
2. the main constituent is present for 88% (w/w) and is not expected to significantly differ in response from the impurities when applying the analytical methods commonly used for this test, i.e. spectrophotometric, titration or conductometric methods
3. the commonly used analytical methods may not be sensitive enough (test concentration < LOD) to result in reliable values
To give an indication of dissociation constants, these were calculated using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International). No acidic and two basic pKa of 3.41 and 2.27 were found.
Key value for chemical safety assessment
Additional information
In accordance with column 2 of REACH Annex IX, the dissociation constant test (required in section 7.16.) does not need to be conducted as it is scientifically not possible to perform the test for the following reasons:
1. the substance contains structurally related impurities
2. the main constituent is present for 88% (w/w) and is not expected to significantly differ in response from the impurities when applying the analytical methods commonly used for this test, i.e. spectrophotometric, titration or conductometric methods
3. the commonly used analytical methods may not be sensitive enough (test concentration < LOD) to result in reliable values
To give an indication of dissociation constants, these were calculated using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International). In the logarithm range of 1 - 14, for acidic and basic groups in the molecular structure of the test substance, no pKa.
were found for acidic groups and two pKa for basic groups: pKaof 3.41 and 2.27.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.
