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EC number: 217-968-7 | CAS number: 2022-85-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2004-06-07 - 2004-07-19
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 004
- Report date:
- 2005
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 27 July1995.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Flucytosine
- EC Number:
- 217-968-7
- EC Name:
- Flucytosine
- Cas Number:
- 2022-85-7
- Molecular formula:
- C4H4FN3O
- IUPAC Name:
- flucytosine
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- please refer to Test material information
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.043
- Temp.:
- 22.1 °C
- pH:
- >= 6.4 - <= 6.9
- Remarks on result:
- other: Temp: 22.1 ± 0.5°C
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.36
- Temp.:
- 22.1 °C
- pH:
- >= 6.4 - <= 6.9
- Remarks on result:
- other: Temp: 22.1 ± 0.5°C
Any other information on results incl. tables
Results
Preliminary estimate
Approximate solubility in n-octanol: 0.204 g/L
Approximate solubility in water: 5.35 g/L
Approximate Pow : 3.82E-002
Log10 Pow : -1.42
The partition coefficient determined for each sample is shown in the following table:
Sample Number |
n-Octanol/Water Volume Ratio |
Partition Coefficient |
Log10 Pow |
Mean Partition Coefficient |
1 |
2:1 |
4.75E-002 |
-1.32 |
see below |
2 |
2:1 |
4.92E-002 |
-1.31 |
4.83E-002 |
3 |
4:1 |
3.37E-002 |
-1.47 |
see below |
4 |
4:1 |
5.64E-002 |
-1.25 |
4.51E-002 |
5 |
8:1 |
4.49E-002 |
-1.35 |
see below |
6 |
8:1 |
2.78E-002 |
-1.56 |
3.64E-002 |
Mean Pow : 4.32E-002
log10 Pow : -1.36 Standard deviation : 1.06E-002
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 40 mg/l for the organic matrix and 0 to 400 mg/L for the aqueous matrix. These were satisfactory with a correlation coefficient of 1.000 being obtained for both.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test material has been determined to be 4.32E-002 at 22.1 ± 0.5°C, this corresponds to a log10 Pow of -1.36.
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