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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
GLP compliance:
yes (incl. QA statement)
Dissociating properties:
not determined

Titration of the substance with acid or base resulted in inconsistent titration curves and content calculations. This is assumed to be due to the chemical structure of the substance with four ionizable groups and different possible resonance structures, as well as changing solubility behaviour upon addition of acid and base. The determination of the dissociation constant of an aqueous preparation of the substance is therefore not applicable

Conclusions:
Titration of the substance with acid or base resulted in inconsistent titration curves and content calculations. This is assumed to be due to the chemical structure of the substance with four ionizable groups and different possible resonance structures, as well as changing solubility behaviour upon addition of acid and base. The determination of the dissociation constant of an aqueous preparation of the substance is therefore not applicable

Description of key information

Titration of the substance with acid or base resulted in inconsistent titration curves and content calculations. This is assumed to be due to the chemical structure of the substance with four ionizable groups and different possible resonance structures, as well as changing solubility behaviour upon addition of acid and base. The determination of the dissociation constant of an aqueous preparation of the substance is therefore not applicable

Key value for chemical safety assessment

Additional information