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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
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)
Version / remarks:
Computational approach in OECD Guideline 107
GLP compliance:
not specified
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Batch no.: 3837
Appearance: white powder
Key result
Type:
log Pow
Partition coefficient:
-2.4
Temp.:
20 °C
Remarks on result:
other: pH: not specified
Key result
Type:
Pow
Partition coefficient:
0.004
Temp.:
20 °C
Remarks on result:
other: pH: not specified
Details on results:
-Solubility of the test substance in n-octanol: 0.8772±0.0638 g/L (ref: report 16-0700/1-8)
-Solubility of the test substance in water: 221.9±3.2 g/L (ref: report 16-07300/1-9)

The log Pow was calculated according the equation:
Pow= solubility of the test substance in n-octanol / solubility of the test substance in water
= 0.8772 g/L / 221.9 g/L
= 3.5E-03

Log Pow= -2.4
Conclusions:
Under the study conditions, the partition coefficient (log Pow) of the substance was calculated to be -2.4 at 20°C.
Executive summary:

A study was conducted to determine the partition coefficient of the substance according to OECD Guideline 107. It was not technically feasible to measure an octanol-water partition coefficient for the test substance. Hence, partition coefficient of the test substance was calculated through the ratio of its solubility in n-octanol and water. Water and n-octanol solubility of the test substance was determined according to the test procedure VTA34N00003.01, which complies with EU test method L383 A/54-62 (EEC A.6). Under the study conditions, the partition coefficient (log Pow) of the substance was calculated to be -2.4 at 20°C (Schwarzkopf, 2016).

Description of key information

The partition coefficient (n-octanol/water) was determined according to OECD Guideline 107 (Schwarzkopf, 2016).

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.4
at the temperature of:
20 °C

Additional information

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