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EC number: 866-700-0 | CAS number: 2102522-55-2
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Remarks:
- Dissociated/undissociated form calculated from the variation of retention time.
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 29 June 2018 - 11 September 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The dissociation constants (pKa) in water of the test material could not be measured according to the titration method, the spectrophotometric method and the conductometric method in the OECD 112, because the water solubility of the test material was low. Therefore, in this study, the retention time of the test material was measured by the HPLC analysis using the eluents of various pH and then the dissociated/undissociated form of the test material was evaluated from the variation of the retention time.
- GLP compliance:
- no
- Remarks:
- not required for physico-chemical studies
- Specific details on test material used for the study:
- - Storage conditions: The test material was stored in a dark storage place at room temperature.
- Dissociating properties:
- no
- Remarks on result:
- other: Test material has an undissociated form in the pH range of 3.0 - 9.0.
- Conclusions:
- Under the conditions of this study, the test material has an undissociated form in the pH range from 3.0 - 9.0.
- Executive summary:
The dissociation constants (pKa) in water of the test material could not be measured according to the titration method, the spectrophotometric method and the conductometric method in the OECD 112, because the water solubility of the test material was low. Therefore, in this study, the retention time of the test material was measured by the HPLC analysis using the eluents of various pH and then the dissociated/undissociated form of the test material was evaluated from the variation of the retention time.
The retention time of the test material was almost constant in pH 3.0 to pH 9.0. Therefore, under the conditions of this study, the test material has an undissociated form in the pH range from 3.0 - 9.0.
Reference
Overall results
pH of buffer solution |
Retention time (min) |
||
Measured value |
Average |
||
3.0 |
7.08 |
7.06 |
7.07 |
7.0 |
6.96 |
6.96 |
6.96 |
9.0 |
6.95 |
6.95 |
6.95 |
Description of key information
The test material has an undissociated form in the pH range from 3.0 - 9.0.
Key value for chemical safety assessment
Additional information
The dissociation constants (pKa) in water of the test material could not be measured according to the titration method, the spectrophotometric method and the conductometric method in the OECD 112, because the water solubility of the test material was low. Therefore, in this study, the retention time of the test material was measured by the HPLC analysis using the eluents of various pH and then the dissociated/undissociated form of the test material was evaluated from the variation of the retention time.
The retention time of the test material was almost constant in pH 3.0 to pH 9.0. Therefore, under the conditions of this study, the test material has an undissociated form in the pH range from 3.0 - 9.0.
The study was awarded a reliability score of 2 in accordance with the criteria set forth by Klimisch et al. (1997).
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