Registration Dossier

Physical & Chemical properties

Dissociation constant

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

A weight of evidence approach have been developped with experimental data extracted from a referenced database containing peer-reviews physico-chemicals values (Beilstein) supported by estimated values calculated with a model cited in ECHA guidance R7a (Sparc). The experimental values of pKa were determinated to be 0.98 for the monoester and 1.62 and 6.72 for the diester. This is in agreement with the calculated values of 0.58 for the monoester and 1.41 and 6.08 for the diester, respectively.

Key value for chemical safety assessment

Additional information

A weight of evidence approach have been developped with experimental data extracted from a referenced database containing peer-reviews physico-chemicals values (Beilstein) supported by estimated values calculated with a recommended model by ECHA (Sparc). The experimental values of pKa were determinated to be 0.98 for the monoester and 1.62 and 6.72 for the diester. This is in agreement with the calculated values of 0.58 for the monoester and 1.41 and 6.08 for the diester, respectively.