Registration Dossier

Diss Factsheets

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:
1985
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

Constituent 1
Chemical structure
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

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