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Dissociation constant

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Description of key information

Dissociation constant at 20°C:

1) 4.27 (carboxyl group)

2) 10.44 (thiol group)

Key value for chemical safety assessment

Additional information

Two dissociation constants of the test substance 3-mercaptopropionic acid have been determined to be: 4.27 (carboxyl group) and 10.44 (thiol group) at 20.0 °C by using SPARC online calculator , V4.2 release. The dissociation of carboxyl group is predicted in environmentally relevant pH, therefore further validation of the predicted value was done on the basis of experimental and predicted by SPARC values for three other substances: 3 -hydroxypropionic acid, thioglycolic acid and ethanethiol. SPARC prediction for that substances are reliable, therefore the calculation of SPARC of dissociation constant for 3-mercaptopropionic acid is accepted as valid.