Registration Dossier
Registration Dossier
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EC number: 433-260-2 | CAS number: 168253-59-6
Dissociation constant
Administrative data
Link to relevant study record(s)
Description of key information
The dissociation constants for 1,5-bis[1,2-bis(ethoxycarbonyl)ethylamino]-2-methylpentane are estimated to be pKa1 of 6.6 and pKa2 of 6.7, at 25°C.
Method:
Calculated with the software ACD/ChemSketch (ACD/Percepta version 14.00).
Key value for chemical safety assessment
- pKa at 20°C:
- 6.72
Additional information
In the scope of a study to determine the n-octanol/water- partition coefficient of the test item, it was shown that pKa values could not be determined experimentally due to solubility problems. For this reason, the QSAR-Estimation for the dissociation constant was chosen as key-study and no experiments were conducted.
According to the estimated results, this substance presents mainly as ionic form under environmentally relevant pH5 - 9.
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