Registration Dossier
Registration Dossier
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EC number: 200-362-1 | CAS number: 58-08-2
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: peer revuiewed data base
Data source
Reference
- Reference Type:
- secondary source
- Title:
- Lange's Handbook of Chemistry.
- Author:
- Dean, J.A.
- Year:
- 1 985
- Bibliographic source:
- 13 ed. New York, NY: McGraw-Hill Book Co., p. 526. cited in HSDB 21 Sep 2006, and SRC PhysProp Database, query date 31 Jul 2007
Materials and methods
Test guideline
- Guideline:
- other: measured
- Principles of method if other than guideline:
- Method: other
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Caffeine
- EC Number:
- 200-362-1
- EC Name:
- Caffeine
- Cas Number:
- 58-08-2
- Molecular formula:
- C8H10N4O2
- IUPAC Name:
- 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
- Details on test material:
- name of test material (as cited in study report): caffeine
Analytical purity: pure
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- pKa:
- 10.4
- Temp.:
- 40 °C
- Remarks on result:
- other: Acid-base constant:
Applicant's summary and conclusion
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