Registration Dossier
Registration Dossier
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EC number: 206-490-4 | CAS number: 349-76-8
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:
- 16 Oct to 05 Nov 1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.55
- Temp.:
- 25 °C
- pH:
- >= 7.52 - <= 7.86
- Conclusions:
- The test item has octanol / water partition coefficient of 2.55 (Log Pow) at 25 °C, pH ca. 7.7
- Executive summary:
A study was conducted to assess the partitioning coefficient for the test substance according to EEC method A.8., Official Journal of the European Communities 92/69/EEC, No L 383, Dec. 1992 and with the OECD guideline number 107, July 1995, using the shake-flask method.
Prior to use, both the water and the octanol had been mutually saturated with each other. The solvents had been allowed to stand for sufficient time to allow phase separation.
An accurately known amount of the test substance was weighed directly into a centrifjuge tube and an accurately known volume of octanol (saturated with water) was added. The test substance dissolved completely in the octanol. Then, an accurately known volume of water (saturated with octanol) was added. Two further mixtures were prepared in a similar manner, such that the second mixture contained twice the volume of octanol as the first, and the third half the volume of octanol as the first Each of the three chosen octanol to water volume ratios was prepared in duplicate. Hence, a total of six mixtures was prepared. After the addition of the water the centrifuge tubes were sealed and rotated through 180° about their transverse axis 30 times. Then the contents of the rubes were equilibrated by continuous, gentle shaking at 25-0 °C (± 0-1 °C) for twenty-one hours in a thermostatically controlled water bath. After this time the tubes were centrifuged for 40 minutes at 50000 G in a thermostated centrifuge (25 °C). Subsequently, an aliquot from each of the clear, separated, octanol and aqueous phases was removed from each centrifuge tube and analysed by HPLC.
The partition coefficient logKow for the test substance was determined to be 25°C at pH 7.7.
Reference
Description of key information
A study was conducted to assess the partitioning coefficient for the test substance according to EEC method A.8., Official Journal of the European Communities 92/69/EEC, No L 383, Dec. 1992 and with the OECD guideline number 107, July 1995, using the shake-flask method.
Prior to use, both the water and the octanol had been mutually saturated with each other. The solvents had been allowed to stand for sufficient time to allow phase separation.
An accurately known amount of the test substance was weighed directly into a centrifjuge tube and an accurately known volume of octanol (saturated with water) was added. The test substance dissolved completely in the octanol. Then, an accurately known volume of water (saturated with octanol) was added. Two further mixtures were prepared in a similar manner, such that the second mixture contained twice the volume of octanol as the first, and the third half the volume of octanol as the first Each of the three chosen octanol to water volume ratios was prepared in duplicate. Hence, a total of six mixtures was prepared. After the addition of the water the centrifuge tubes were sealed and rotated through 180° about their transverse axis 30 times. Then the contents of the rubes were equilibrated by continuous, gentle shaking at 25-0 °C (± 0-1 °C) for twenty-one hours in a thermostatically controlled water bath. After this time the tubes were centrifuged for 40 minutes at 50000 G in a thermostated centrifuge (25 °C). Subsequently, an aliquot from each of the clear, separated, octanol and aqueous phases was removed from each centrifuge tube and analysed by HPLC.
The partition coefficient logKow for the test substance was determined to be 2.55 at 25°C and pH 7.7.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.55
- at the temperature of:
- 25 °C
Additional information
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