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Physical & Chemical properties

Dissociation constant

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Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2007
Reliability:
2 (reliable with restrictions)
Reference:
Composition 0
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation using ACD/pKaDB Product Version 10.01
GLP compliance:
no
Test material information:
Composition 1
No.:
#1
pKa:
> 14
No.:
#2
pKa:
< -3

Calculation based on the cation.

The calculated values are not of practical relevance. It is concluded that the octenidine cation is stable due to existence of different mesomers. The octenidine cation does not release or accept protons as a function of pH

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2007
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
no
GLP compliance:
yes
Test material information:
Composition 1
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Purity: 99%
Dissociating properties:
no

No pKa determinable between pH 0.8 and 13.7

Description of key information

It is concluded that the octenidine cation is stable due to existence of different mesomers. The octenidine cation does not release or accept protons as a function of pH.

Key value for chemical safety assessment

Additional information