Registration Dossier
Registration Dossier
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EC number: 208-634-1 | CAS number: 536-45-8
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 3 April 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR prediction.
For details please refer to "other information on material and methods" - Principles of method if other than guideline:
- Calculation with use of SPARC pKa online calculator v 4.6, chemical reactivity models for estimation of ionisation pKa in water.
- GLP compliance:
- no
- Specific details on test material used for the study:
- The QSAR was performed with p-anisic acid, the conjugate acid of sodium anisate.
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 4.42
- Temp.:
- 25 °C
- Conclusions:
- A pKa value of 4.42 at 25 °C was determined for p-anisic acid (conjugate acid of sodium anisate) by QSAR.
Reference
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
pKa (p-anisic acid ) is 4.42 at 25 ºC (QSAR, SPARC v4.6).
Key value for chemical safety assessment
- pKa at 20°C:
- 4.42
Additional information
A pKa value of 4.42 at 25 °C was determined for p-anisic acid (conjugate acid of sodium anisate) by QSAR.
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