Registration Dossier

Physical & Chemical properties

Dissociation constant

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

Not applicable

Key value for chemical safety assessment

Additional information

The substance is a salt which is a reaction product of acid and base that retain their ionic character.

In addition, the dissociation constant on the single compound has been calculated, respectively.

The representative fatty acid part (in form of Dodecanoic acid, 2-sulfo and Tetradecanoic acid, 2-sulfo) were calculated with SPARC.

1) Dodecanoic acid, 2-sulfo:

SMILES: O=C(O)C(CCCCCCCCCC)S(=O)(=O)O

calculated pKa= 4.21 at 25°C

2) Tetradecanoic acid, 2-sulfo:

SMILES: O=C(O)C(CCCCCCCCCCCC)S(=O)(=O)O

calculated pKa= 5.49 at 25°C