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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:
13 April, 2015 to 21 April, 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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - 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 46014/I TE
- Lot. OC130702
- Appearance: Orange powder
Analytical method:
high-performance liquid chromatography
Key result
Remarks on result:
not determinable
Details on results:
Pow: Not determinable
log Pow: Not determinable

Preliminary Visual Estimation of the n-octanol solubility


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


Appearance of the test mixtures


































Amount of test item in mg



Volume in ml



Total volume in ml



Stirring time



Appearance of mixture



1



5



5



60 min



undissolved



1



10



10



60 min



undissolved



1



100



100



60 min



undissolved



 


According to this preliminary test the solubility of the test item in n-octanol is below 10 mg/l (without correction of the purity).


 


Calculation of the partition coefficient log Pow from the preliminary tests


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


P ow = cs octanol /cs water


s= saturation


With the data obtained from the experiments in chapter 3.5.1 (cs < 10 mg/l) and in the preliminary test (water solubility: cs < 1 μg/l) the partition coefficient can´t be calculated as log POW .


Due to the fact, that the water solubility is below 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 method:


Solubility of the test item –experiments A to D:


 
















































Experiment



A



B



C



D(blank)



Amount of test item (mg)



100



100



100



--



Stirring time at 30 °C (h)



24



48



72



72



Aliquot of the flasks (ml)



Undiluted



Undiluted



Undiluted



undiluted



Measured concentration (μg/l)



n.d.


(< 1 μg/l)



n.d.


(< 1 μg/l)



n.d.


(< 1 μg/l)



--



Solubility (μg/l)



< 1



< 1



< 1



--



 


Concentrations of the standards for recheck:


 
















Standard



Measured concentration


(μg/l)



% Recovery



Standard 1 (c= 1 μg/l)



1.1



110



 The recovery of 110 % indicates a sufficient accuracy of the analytical method.


 


Calculation of the partition coefficient log Pow from the individual solubility in water and n-octanol


By means of the flask method, the saturation concentration of the test item in n-octanol was determined to: <1 μg/l.


By means of the flask method, the saturation concentration of the test item in water was determined to: <1 μg/l

Conclusions:
The n-octanol/water partition coefficent for FAT 46014/I at 20 °C calculated from the individual solubility in water and n-octanol, was not determinable.
Executive summary:

The n-octanol/water partition coefficient of FAT 46014/I was evaluated in a study conducted according to OECD Guidelines 107 and 117 as well as EU Method A.8. Due to the fact, that the water solubility is below the LoQ, the partition coefficient n-octanol/water has to be estimated from the individual solubility in water and n-octanol. However, both individual solubility in water and n-octanol were found to be below the limit of quantification (<1 μg/L) for the test substance. Hence, the n-octanol/water partition coefficent for FAT 46014/I at 20 °C,  calculated from the individual solubility in water and n-octanol, was not determinable.

Description of key information

The n-octanol/water partition coefficient of FAT 46014/I was evaluated in a study conducted according to OECD Guidelines 107 and 117 as well as EU Method A.8. Due to the fact, that the water solubility is below the LoQ, the partition coefficient n-octanol/water has to be estimated from the individual solubility in water and n-octanol. However, both individual solubility in water and n-octanol were found to be below the limit of quantification (<1 μg/L) for the test substance. Hence, the n-octanol/water partition coefficent for FAT 46014/I at 20 °C was not determinable.

Key value for chemical safety assessment

Additional information