Registration Dossier
Registration Dossier
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EC number: 953-797-0 | CAS number: 210300-09-7
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7370 (Dissociation constants in water)
- Deviations:
- no
- GLP compliance:
- yes
Test material
- Reference substance name:
- 3-hydroxy-4-methoxypyridine-2-carboxylic acid
- Cas Number:
- 210300-09-7
- Molecular formula:
- C7H7NO4
- IUPAC Name:
- 3-hydroxy-4-methoxypyridine-2-carboxylic acid
Constituent 1
- Specific details on test material used for the study:
- Substance name: HMPCA
Lot #: EXP-16-BK7259 (TSN317010)
Purity: 100%
Results and discussion
- Dissociating properties:
- not determined
Dissociation constantopen allclose all
- No.:
- #1
- pKa:
- 2.3
- Temp.:
- 22 °C
- Remarks on result:
- other: Carboxylic acid pKa value
- No.:
- #1
- pKa:
- 6.4
- Temp.:
- 22 °C
- Remarks on result:
- other: Phenolic pKa value
Applicant's summary and conclusion
- Conclusions:
- Carboxylic acid pKa value: 2.3 (equivalent Ka = 5 x 10e-3)
Phenolic pKa value: 6.4 (equivalent Ka = 4 x 10e-7) - Executive summary:
The study was conducted to determine the dissociation constant of the test substance by the potentiometric titration method according to the guidelines OECD Method 112 and EPA/OCSPP 830.7370.
The results from the dissociation constant assessment, showed that the test substance had at least two pKa values. The first was due to the carboxylic acid group and was determined to be 2.3 (equivalent Ka = 5 x 10e-3), while the second was considered to be due to the phenolic group and was determined to be 6.4 (equivalent Ka = 4 x 10e-7).
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