Registration Dossier
Registration Dossier
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EC number: 212-736-1 | CAS number: 865-33-8
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- QSAR prediction
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- ACD/LogD suite Program, Version 10, Advanced Chemistry Development, Toronto, Canada,
The QSAR method estimates the dissociation constant (pKa) of organic chemicals using a molecule fragment contribution method - GLP compliance:
- no
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 15.17
- Temp.:
- 20 °C
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- reliable scientific literature.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Method: chemical reactivity, equilibrium determination
- GLP compliance:
- not specified
- pKa:
- 15.5
- Remarks on result:
- other: Acid-base constant
Referenceopen allclose all
Potassium methanolate dissociates in water and the methanolate anion reacts according to: CH3O-+ H2O -> CH3OH + OH-
Description of key information
pKa of potassium methanolate is estimated in a supporting study by (Q)SAR to be 15.17 at 20 °C.
However, the study does not need to be conducted because the substance reacts violently with water and the claculated value is beyond naturally relevant pH conditions.
Key value for chemical safety assessment
- pKa at 20°C:
- 15.17
Additional information
Potassium methanolate dissociates in water and the methanolate anion reacts according to: CH3O-+ H2O -> CH3OH + OH-
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