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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Mar. 2018 - Apr. 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
from 27. July 1995
Deviations:
yes
Remarks:
please refer to "Principles of method if other than guideline"
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
Council Regulation (EC) No 440/2008 of 30. May 2008, published on 31. May 2008
Deviations:
yes
Remarks:
please refer to "Principles of method if other than guideline"
Principles of method if other than guideline:
Following the guideline, the flask method is applicable when the log POW value falls within the range -2 to 4. As the estimated log Pow value lay outside this range, no main test was performed.
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
other: visually
Type:
log Pow
Partition coefficient:
< -2
Temp.:
20 °C
Remarks on result:
other: pH not determined
Details on results:
The solubility of the test item in n-octanol was estimated during the preliminary test as < 0.5 g/L at 20.0 °C (mean value). The water solubility of the test item was determined in the study no. 17072401G910 as > 1000 g/L.
The log POW was estimated from the ratio of the solubility values of the test item in pure solvents.
Pow < 0.5 / 1000 = 0.0005, Log Pow < -3.3
As the value lay outside the range of -2 to 4, the log POW was stated as < -2 with Pow < 0.01.

The following results were observed in the preliminary test:

 Total Volume n-Octanol [ml]  Time Ultrasonic [min]  Observations

 10

 10  dissolution was not complete
 20   10    dissolution was not complete
 30   10    dissolution was not complete
 40   10    dissolution was not complete
 50   10    dissolution was not complete
 60   10    dissolution was not complete
 70   10    dissolution was not complete
 80   10    dissolution was not complete
 90   10    dissolution was not complete
 100  30    dissolution was not complete
Conclusions:
The solubility of the test item in n-octanol was estimated during the preliminary test as < 0.5 g/L at 20.0 °C (mean value). The water solubility of the test item was determined in the study no. 17072401G910 as > 1000 g/L.
The log Pow was estimated from the ratio of the solubility values of the test item in pure solvents as < -2.
Executive summary:

The study was performed under GLP conditions and according to OECD guideline 107 and EU Method A.8.

The solubility of the test item in n-octanol was estimated during the preliminary test as < 0.5 g/L at 20.0 °C (mean value). The water solubility of the test item was determined in the study no. 17072401G910 as > 1000 g/L.

The log POW was estimated from the ratio of the solubility values of the test item in pure solvents as < -2. No main test according to guideline was performed, because the flask method is applicable when the log POW value falls within the range -2 to 4.

No observations were made which might cause doubts concerning the validity of the study outcome.

Description of key information

The study was performed under GLP conditions and according to OECD guideline 107 and EU Method A.8.

The solubility of the test item in n-octanol was estimated during the preliminary test as < 0.5 g/L at 20.0 °C (mean value). The water solubility of the test item was determined in the study no. 17072401G910 as > 1000 g/L.

The log POWwas estimated from the ratio of the solubility values of the test item in pure solvents as < -2. No main test according to guideline was performed, because the flask method is applicable when the log POWvalue falls within the range -2 to 4.

No observations were made which might cause doubts concerning the validity of the study outcome.

Key value for chemical safety assessment

Log Kow (Log Pow):
-2
at the temperature of:
20 °C

Additional information

The log POW is below -2, nevertheless -2 is used as key value for the CSA because this value shows that the substance is very hydrophilic.