Registration Dossier
Registration Dossier
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EC number: 440-050-4 | CAS number: 243857-97-8
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:
- From June 11, 1999 to December 14, 1999
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- estimation method (solubility ratio)
- Remarks:
- calculation from the solubilities of the test substance in water and n-octanol
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -5.1
- Temp.:
- 20 °C
- pH:
- 5.5
- Details on results:
- Solubility in n-octanol:
average: 0.555 mg/L (corrected for a purity of 51 %: 0.283 mg/L)
standard deviation: 0.035 mg/L - Conclusions:
- Under the test conditions, the log Kow of the test substance was calculated to be -5.1 at 20 °C
- Executive summary:
A study was performed to determine the partition coefficient of test substance according to EU Method A.8. in compliance with GLP from its solubility in water and in n-octanol.
The solubility of the test item in water has been determined during study EO 043-99 and was found to be 35.5 g/L.
The Kow solubility of the test substance in n-octanol was performed by HPLC.
The partition coefficient n-octanol water (Kow) of test substance was calculated from the solubilities of the test material in water and in n-octanol.
Under the test conditions, the log Kow of the test substance was calculated to be -5.1 at 20 °C
Reference
Calculation of the n-octanol/water partition coefficient
Pow= 0.283 mg/L/35500 mg/L =>7.97 x 10-6
log Pow = - 5.10
Description of key information
The log Kow of the test substance was calculated to be -5.1 at 20 °C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -5.1
- at the temperature of:
- 20 °C
Additional information
A study was performed to determine the partition coefficient of test substance according to EU Method A.8. from its solubility in water and in n-octanol, respectively.
The solubility of the test item in water has been determined during study EO 043-99 and was found to be 35.5 g/L.
The Kow solubility of the test substance in n-octanol was performed by HPLC.
The partition coefficient n-octanol water (Kow) of test substance was calculated from the solubilities of the test substance in water and in n-octanol. The log Kow of the test substance was calculated to be -5.1 at 20 °C (Mühlberger B, 1999)
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