Registration Dossier
Registration Dossier
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EC number: 274-861-8 | CAS number: 70775-75-6
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2007
- Reliability:
- 2 (reliable with restrictions)
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation using ACD/pKaDB Product Version 10.01
- GLP compliance:
- no
- No.:
- #1
- pKa:
- > 14
- No.:
- #2
- pKa:
- < -3
- 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
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Purity: 99% - Dissociating properties:
- no
Referenceopen allclose all
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
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
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