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Physical & Chemical properties

Partition coefficient

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Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental Starting Date: 23/02/2015; Experimental Completion Date: 27/02/2015; Study Completion Date: 05/03/2015
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)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identification: FAT 36156/D TE
Lot. 20140804
Appearance: Blue powder
Analytical method:
other: Concentration were quantified with absorbance vs concentration.
Type:
Pow
Partition coefficient:
1 290
Temp.:
20 °C
Remarks on result:
other: pH not specified
Type:
log Pow
Partition coefficient:
3.11
Temp.:
20 °C
Remarks on result:
other: pH not specified
Details on results:
The partition coefficient of FAT 36156 was found to be 3.11.

Individual Results


Preliminary Visual Estimation of the n-octanol solubility


100 mg of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles.


 


Table 2: Appearance of the test mixtures


































Amount of test item in mg



Volume in ml



Total volume in ml



Stirring time



Appearance of mixture



10



5



5



60 min



undissolved



10



10



10



60 min



undissolved



10



50



50



60 min



dissolved



According to this preliminary test the solubility of the test item in n-octanol is about 200 mg/l (without correction of the purity).


 


Calculation of the partition coefficient log Powfrom the preliminary tests


 The partition coefficient Powmay be estimated from the saturation concentrations in n- octanol and water by the following equation:


Pow= cs octanol /cswater


s= saturation


With the data obtained from the experiments above (200 mg/l) and in the preliminary test (water solubility: cs= 0.20 mg/l) the partition coefficient was calculated as log POW 3.0


 


Due to the fact, that the water solubility is nearby the LoQ, the partition coefficient n-octanol/water has to be estimated from the individual solubilities in water and n-octanol.


 


Determination of the solubility in the n-Octanol phase: Flask Methods


Table 3: Solubility of the test item –experiments A to D


 
















































Experiment



A



B



C



D(blank)



Amount of test item (mg)



500



500



500



--



Stirring time at 30°C (h)



24



48



72



72



Aliquot of the flasks (ml)



0.1/10



0.1/10



0.1/10



 



Measured concentration (µg/ml)



 


2.81



 


2.44



 


2.50



 


--



Solubility (mg/l)



281



244



250



--



 


Table 4: Concentrations of the standards for recheck:


 
















Standard



Measured concentration


(µg/ml)



% Recovery



Solution C + 2.0 µg



4.6



102.2



 


The recovery of 102.2 % indicates a sufficient accuracy of the analytical method.


 


Calculation of the partition coefficient log Pow from the individual solubilities


By means of the flask method, the satuation concentration of the test item in n-octanol was determined to: 258 mg/l.


By means of the flask method, the saturation concentration of the test item in water was determined to: 0.20 mg/l


 


Table 5: Calcultation of the partition coefficient from the individual solubility in water and n-octanol:
















Pow= csoctanol/cswater



Pow



log Pow



258 mg/l / 0.20 mg/l



1290



3.11


Conclusions:
The partition coefficient n-octanol/water of FAT 36156/D TE at 20 °C, from the individual solubility in water and n-octanol, was determined to be 3.11 (log Pow)
Executive summary:

The purpose of the study was determination of the partition coefficient n-octanol / water of the test item according to EU Method A.8 and OECD Guideline 107 and OECD Guideline 117. Shake flask method was used for determination of individual solubility in water and n-octanol.


Based on the findings of the study, the partition coefficent n-octanol/water of FAT 36156/D TE at 20°C, from the individual solubility in water and n-octanol, was determined to be 3.11 (log Pow and Pow = 1290).

Description of key information

The purpose of the study was determination of the partition coefficient n-octanol / water of the test item according to EU Method A.8 and OECD Guideline 107 and OECD Guideline 117. Shake flask method was used for determination of individual solubility in water and n-octanol.


Based on the findings of the study, the partition coefficent n-octanol/water of FAT 36156/D TE at 20°C, calculated from the individual solubility in water and n-octanol, was determined to be 3.11 (log Pow and Pow = 1290).

Key value for chemical safety assessment

Log Kow (Log Pow):
3.11
at the temperature of:
20 °C

Additional information