Registration Dossier
Registration Dossier
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EC number: 221-800-8 | CAS number: 3238-40-2
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12 February 2015 - 26 February 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP-compliant study in accordance with OECD 112 and EPA OPPTS 830.7370 guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Version / remarks:
- (1981)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7370 (Dissociation constants in water)
- Version / remarks:
- (1996)
- Deviations:
- no
- GLP compliance:
- yes
Test material
- Reference substance name:
- Furan-2,5-dicarboxylic acid
- EC Number:
- 221-800-8
- EC Name:
- Furan-2,5-dicarboxylic acid
- Cas Number:
- 3238-40-2
- Molecular formula:
- C6H4O5
- IUPAC Name:
- furan-2,5-dicarboxylic acid
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Description: White crystalline powder
- Storage conditions: At room temperature in the dark
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constantopen allclose all
- No.:
- #1
- pKa:
- 2.3
- Temp.:
- 20 °C
- Remarks on result:
- other: acidic group
- No.:
- #2
- pKa:
- 3.5
- Temp.:
- 20 °C
- Remarks on result:
- other: acidic group
Any other information on results incl. tables
Table: acidic pKavalues of the test substance
| Test | PKa1 | PKa2 |
| 1 | 2.44 | 3.46 |
| 2 | 2.30 | 3.47 |
| 3 | 2.26 | 3.49 |
| Mean | 2.3 | 3.5 |
Applicant's summary and conclusion
- Conclusions:
- In a GLP-compliant study in accordance with OECD 112 and EPA OPPTS 830.7370 using the titration method, the pKa values for dissociation of the two acidic groups in the substance were determined to be 2.3 and 3.5.
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