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EC number: 619-799-8 | CAS number: 66309-83-9
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:
- 14 Jul 2005
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 92/69
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- 579
- Temp.:
- 40 °C
- pH:
- 7.1
- Remarks on result:
- other: column temperature 40°C, same analytical conditions for test and reference substances
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.76
- Temp.:
- 40 °C
- pH:
- 7.1
- Remarks on result:
- other: column temperature 40°C, same analytical conditions for test and reference substances
- Conclusions:
- The partition coefficient of test substance was determined with, log Pow = 2.76.
- Executive summary:
The study was performed to assess the partition coefficient. The study was conducted in accordance with EEC Method for "determination of the partition coefficient", Directive 92/69/EEC, method A.8 which is in most parts equivalent to the OECD Guideline for Testing of Chemicals No. 117. The partition coefficient of test substance was determined with, log Pow = 2.76 column temperature 40°C, same analytical conditions for test and reference substances.
Reference
The dead time was determined by simultaneous injection of the n-alkyl methyl ketones (to = a/(1 - b)) and was t0 = 2.008 min
Validity criteria for the measurement of the partition coefficient:
| Target condition according to guideline: | Actual condition according to the study: | Validity criteria met: |
| In order to correlate the measured HPLC data of a compound with its P value, a calibration graph of log P vs. chromatographic data using at least 6 reference points has to be established. | A calibration graph with nine reference points is available. | Yes |
| Whenever possible, at least one reference compound should have a Pow above that of the test substance, and another a Pow below that of the test substance. | LogPow of the test substance = 2.76 LogPows of reference compounds = 0.3 - 4.7 | Yes |
Description of key information
A study was performed to assess the partition coefficient. The study was conducted in accordance with EEC Method for "determination of the partition coefficient", Directive 92/69/EEC, method A.8 which is in most parts equivalent to the OECD Guideline for Testing of Chemicals No. 117. The partition coefficient of test substance was determined with, log Pow = 2.76 column temperature 40°C, same analytical conditions for test and reference substances.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.76
- at the temperature of:
- 40 °C
Additional information
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