Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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