Registration Dossier
Registration Dossier
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EC number: 700-835-7 | CAS number: 919005-14-4
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- disregarded due to major methodological deficiencies
- Study period:
- 2012
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- other: The measuring system used is not convincing for an expert judgment based on the mixtures of solvents used.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- GLP compliance:
- no
Test material
- Reference substance name:
- DONA
- IUPAC Name:
- DONA
- Details on test material:
- - Name of test material (as cited in study report): DONA
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constantopen allclose all
- No.:
- #1
- pKa:
- 1
- Remarks on result:
- other: Result for 1:1 water : acetonitrile mixture. Measurement temperature not reported.
- No.:
- #1
- pKa:
- 2.43
- Remarks on result:
- other: Result for DMSO : water (8:2) mixture. Measurement temperature not reported.
Any other information on results incl. tables
There are no details about the measurement. Dissociation constants for DONA were measured in two solvent mixtures rather than pure water. Solvent effects on dissociation were not accounted for. Further, the method for determining pKa was not provided regardless of solvent system.
Applicant's summary and conclusion
- Conclusions:
- The pKa values of MeDONA measured were 1.81 in 1:1 water : acetonitrile and 2.43 in 8:2 DMSO : water.
- Executive summary:
Dissociation constants for DONA were measured in two solvent mixtures rather than pure water. Solvent effects on dissociation were not accounted for. Further, the method for determining pKa was not provided regardless of solvent system. The report describes an unsuitable test system but provides insufficient detail to assess the measurement. Therefore, the data is considered to be not reliable.
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