Registration Dossier
Registration Dossier
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EC number: 200-362-1 | CAS number: 58-08-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 988
- Report date:
- 1988
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
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): 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Analytical purity: pure
Constituent 1
Study design
- Analytical method:
- other:
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -0.091
- Temp.:
- 23 °C
Any other information on results incl. tables
Summary of results
--------------------------
/ P(OW) /
1. Weighed sample / 0.812 /
2. Weighed sample / 0.804 /
3. Weighed sample / 0.806 /
Mean / 0.807 /
The partition coefficient of caffeine in 1-Octanol/Water at 25°C, log Pow = -0.0907. No data available for pH.
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