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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
From February 17, 1999 to February 22, 1999
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Purity: 52% w/w
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-6.63
Temp.:
20 °C
Remarks on result:
other: pH: not specified
Key result
Type:
Pow
Partition coefficient:
0
Temp.:
20 °C
Remarks on result:
other: pH: not specified
Details on results:
The average solubility in n-octanol was 0.029 +/- 0.003 mg/L (and with the purity (52% w/w) correction: 0.01508 mg/L).
Conclusions:
Under the study conditions, the n-octanol/water partition coefficient of the test substance was determined to be -6.63 (log Pow) and 2.33E-07 (Pow) at 20°C.
Executive summary:

A study was conducted to determine the n-octanol/water partition coefficient of the test substance according to EU Method A.8, in compliance with GLP. It was estimated from the saturation concentrations of the test substance in octanol and in water according to the following equation: Pow = CsO/CsW (O: octanol and W: water), where CsO = 64.8 g/L (water solubility). CsO was determinated as follows: four weighed amounts (21.816 and 22.760 mg) of the test substance were added in portions to 50 mL of n-octanol and stirred for 3 h at 20.0°C. The treatment of the solutions was the same for all the samples; one aliquot of 8 mL were taken and centrifugated (15 min, 5000 rpm) and the centrifugates were filtered. 2 mL of n-octanol filtrates were extracted with 2 mL of distilled water, centrifugated (1 min, 5000 rpm) and the aquous phase was investigated by HPLC. Under the study conditions, the n-octanol/water partition coefficient of the test substance was determined to be -6.63 (log Pow) and 2.33E-07 (Pow) at 20°C (Mühlberger, 1999).

Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
From February 17, 1999 to February 22, 1999
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
RA study
Reason / purpose:
read-across source
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-6.63
Temp.:
20 °C
Remarks on result:
other: pH: not specified
Key result
Type:
Pow
Partition coefficient:
0
Temp.:
20 °C
Remarks on result:
other: pH: not specified
Details on results:
The average solubility in n-octanol was 0.029 +/- 0.003 mg/L (and with the purity (52% w/w) correction: 0.01508 mg/L).
Conclusions:
Based on the results of the read across study, the n-octanol/water partition coefficient of the substance was determined to be -6.63 (log Pow) and 2.33E-07 (Pow) at 20°C (HPLC). This is supported by the high water solubility limit of the substance (125000 mg/L) which suggests a low log Pow.
Executive summary:

A study was conducted to determine the n-octanol/water partition coefficient of the read-across substance Reaktiv Scharlach F97 -0319 according to EU Method A.8, in compliance with GLP. It was estimated from the saturation concentrations of the test substance in octanol and in water according to the following equation: Pow = CsO/CsW (O: octanol and W: water), where CsO = 64.8 g/L (water solubility). CsO was determinated as follows: four weighed amounts (21.816 and 22.760 mg) of the test substance were added in portions to 50 mL of n-octanol and stirred for 3 h at 20.0°C. The treatment of the solutions was the same for all the samples; one aliquot of 8 mL were taken and centrifugated (15 min, 5000 rpm) and the centrifugates were filtered. 2 mL of n-octanol filtrates were extracted with 2 mL of distilled water, centrifugated (1 min, 5000 rpm) and the aquous phase was investigated by HPLC. Under the study conditions, the n-octanol/water partition coefficient of the test substance was determined to be -6.63 (log Pow) and 2.33E-07 (Pow) at 20°C This is supported by the high water solubility limit of the substance (125,000 mg/L) which suggests a low log Pow (Mühlberger, 1999).

Description of key information

The n-octanol/water partition coefficient was determined according to EU Method A.8 (Mühlberger, 1999).

Key value for chemical safety assessment

Log Kow (Log Pow):
-6.63
at the temperature of:
20 °C

Additional information