Registration Dossier
Registration Dossier
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EC number: 203-309-0 | CAS number: 105-56-6
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: peer reviewed database
Data source
Reference
- Reference Type:
- secondary source
- Title:
- Journal of Organic Chemistry
- Author:
- Goumont, Regis; Magnier, Emmanuel; Kizilian, Elyane; Terrier, Francois
- Year:
- 2 003
- Bibliographic source:
- vol. 68; nb. 17; (2003); p. 6566 - 6570, cited in REAXYS, Registry No. 605871, query date 2015-01-12
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Method: potentiometric
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Ethyl cyanoacetate
- EC Number:
- 203-309-0
- EC Name:
- Ethyl cyanoacetate
- Cas Number:
- 105-56-6
- Molecular formula:
- C5H7NO2
- IUPAC Name:
- ethyl 2-cyanoacetate
- Test material form:
- other: liquid
- Details on test material:
- Name of test material (as cited in study report): cyanoacetic acid ethyl ester
Analytical purity: pure (not specified)
Constituent 1
Results and discussion
- Dissociating properties:
- no
Dissociation constantopen allclose all
- pKa:
- 10.17
- Temp.:
- 25 °C
- Remarks on result:
- other: Dissociation Group C-H
- pKa:
- 10.63
- Temp.:
- 25 °C
- Remarks on result:
- other: H2O; dimethylsulfoxide,Ratio of solvents: 30 percent DMSO, Dissociation Group C-H
Any other information on results incl. tables
Calculated pKa will tend not to dissociate in water under normal enviromental conditions, because of pKa is outside the environmentally relevant pH range (5-9).
Applicant's summary and conclusion
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