Registration Dossier
Registration Dossier
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EC number: 248-502-0 | CAS number: 27503-81-7
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Principles of method if other than guideline:
- Titration method failed to give the test result, but spectrophotometric method gave out the result, which is consistent with calculation value using software.
- GLP compliance:
- yes
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 4.19
- Temp.:
- 20 °C
- Remarks on result:
- other: The test was performed under ambient temperature without accurate temperature value, which is treated as within 20-25°C.
- Conclusions:
- The dissociation constant of the test item was determined to be pKa = 4.19
Reference
Another value of pKa as 4.16 and it comes from the calculation result using ACD/pKa DB software (version 12.5), which is highly consistent with experimental result. In addition, a pH of 4.16 was observed in the water solubility test.
Description of key information
The dissociation constant of the test item was determined to be pKa = 4.19.
Key value for chemical safety assessment
- pKa at 20°C:
- 4.19
Additional information
The dissociation constant of test material has been determined experimentally to be pKa at 4.19 in a guideline test, which indicates that the test substance is acidic and will partially dissociate under normal conditions when released to environment.
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