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EC number: 416-600-4 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1993-07-09 to 1994-10-13
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- EC 92/69
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1981
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Analytical purity: >= 99.65 %
Lot/batch No.: 93.166 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.5
- Temp.:
- 20 °C
- pH:
- 6
- Details on results:
- No test article was detected during analysis. The lowest point on the calibration line detected was 1.575 mg/L. The test article being also not detected during the water solubility study, the partition coefficient is virtually impossible to measure.
- Conclusions:
- The partition coefficient of the HAT ISO could not be determined by the experimental method as its solubility in n-octanol saturated with water was below the limit of detection.
By calculation, log P was estimated to be: log Pow = 5.5 - Executive summary:
The partition coefficient of HAT ISO was examined by measuring the UV absorption at 290 nm in solutions subjected to high performance liquid chromatography (HPLC).
Mobile phase: This was a mixture of water (25 parts) and dimethylformamide (70 parts), and was degassed by an online degasser.
Presaturation of the solvents:
The following sovents were used:
- water for injection
- n-octanol
Preparation of the test article:
A 1.176 g/L preparation of the test article was made in presaturated n-octanol with water.
Measurement procedure:
The preparation was stirred for 73 hours on a stirrer plate at 20 °C. Two 10 mL samples were then removed and centrifuged at 14 000 rotations per minute for 20 minutes. Each of these samples were analysed by HPLC.
Results:
No test article was detected during analysis. The lowest point on the calibration line detected was 1.575 mg/L. The test article being also not detected during water solubility study, the partition coefficient is virtually impossible to measure.
A log P estimation was carried out using software program Prolog P (CompuDrug Chemistry Ltd., Hungary). The log Pow estimated by this method was 5.5.
Reference
Presaturation of the solvents:
The following sovents were used:
- water for injection
- n-octanol
Preparation of the test article:
A 1.176 g/L preparation of the test article was made in presaturated n-octanol with water.
Measurement procedure:
The preparation was stirred for 73 hours on a stirrer plate at 20 °C. Two 10 mL samples were then removed and centrifuged at 14 000 rotations per minute for 20 minutes. Each of these samples were analysed by HPLC.
Results:
No test article was detected during analysis. The lowest point on the calibration line detected was 1.575 mg/L. The test article being also not detected during water solubility study, the partition coefficient is virtually impossible to measure.
A log P estimation was carried out using software program Prolog P (CompuDrug Chemistry Ltd., Hungary). The log Pow estimated by this method was 5.5.
Description of key information
The partition coefficient of the HAT ISO was not determined by the experimental method (EU-Method A.8, Partition coefficient), as its solubility in n-octanol saturated with water was below the limit of detection. A logKow estimation was carried out using the software program Prolog P (CompuDrug Chemistry Ltd., Hungary). The logKow estimated was 5.5.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.5
- at the temperature of:
- 20 °C
Additional information
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