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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2015-12-21 to 2015-12-22
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:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< -3.12
Temp.:
20 °C
Remarks on result:
other: pH was not determined, as it was a preliminary screening test.
Details on results:
The estimated partition coefficient was calculated as the ratio of the concentrations of the substance in water and n-octanol (without pH correction).

The partition coefficient was calculated using the formula: POW = c(n-octanol)/c(water).

 measurement  POW  log POW  
 1  0.0015 -2.82
 2  0.0007

-3.15

 

The log POW was determined as < -3.12.

Conclusions:
The log Pow was estimated by the logarithm of the ratio of the solubility in n-octanol and in water as < -3.12.
Executive summary:

A study was conducted according to Regulation (EC) No 440/2008, Method A.8. and OECD Guideline No. 107 to determine the partition coefficient of the test item. The preliminary partition coefficient (log Pow) was estimated using the solubility of the test substance in the solvents (water and n-octanol). The log Pow was estimated by the logarithm of the ratio of the solubility in n-octanol and in water (without pH correction) as < -3.12. According to the guideline the shake flask method is applicable when the log POW value falls within the range of -2 to 4 and the HPLC method for the range 0 to 6. The experimentally determined partition coefficient is outside the range for which methods are published in the guidelines and therefore no further tests were performed.

Description of key information

The log Pow was estimated by the logarithm of the ratio of the solubility in n-octanol and in water as < -3.12 (reference 4.7 -1).

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.12
at the temperature of:
20 °C

Additional information

A study was conducted according to Regulation (EC) No 440/2008, Method A.8. and OECD Guideline No. 107 to determine the partition coefficient of the test item. The preliminary partition coefficient (log Pow) was estimated using the solubility of the test substance in the solvents (water and n-octanol). The log Pow was estimated by the logarithm of the ratio of the solubility in n-octanol and in water (without pH correction) as < -3.12. According to the guideline the shake flask method is applicable when the log POW value falls within the range of -2 to 4 and the HPLC method for the range 0 to 6. The experimentally determined partition coefficient is outside the range for which methods are published in the guidelines and therefore no further tests were performed.

Additionally, the log Pow was calculated with the atom/fragment contribution method KOWWIN v1.68 as log POW= -4.66.