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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
November 16 to December 25, 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
Fatty acids, safflower-oil, Et esters
EC Number:
293-106-3
EC Name:
Fatty acids, safflower-oil, Et esters
Cas Number:
91051-53-5
IUPAC Name:
Fatty acids, safflower-oil, Et esters
Test material form:
liquid
Specific details on test material used for the study:
Aspect : clear yellow liquid
Lot No. : 75131
Purity 75.8% Linoleic acid ethyl ester
Expiration date : August 19, 2018

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
5.8
Temp.:
35 °C
pH:
7
Remarks on result:
other: 4.6% rel. peak area
Type:
log Pow
Partition coefficient:
5.9
Temp.:
35 °C
pH:
7
Remarks on result:
other: 2.5% rel. peak area
Remarks:
extrapolated
Type:
log Pow
Partition coefficient:
6.3
Temp.:
35 °C
pH:
7
Remarks on result:
other: 7.9% rel. peak area
Remarks:
extrapolated
Key result
Type:
log Pow
Partition coefficient:
8.6
Temp.:
35 °C
pH:
7
Remarks on result:
other: 85.0% rel. peak area
Remarks:
extrapolated

Any other information on results incl. tables

     tR  k  log k  log Pow  
 Peak 1  tR1  18.634 7.6229   0.8821  5.8  
 Peak 1  tR2  18.847 7.7214   0.8877  5.8  
 Peak 1  tRm  18.741 7.6721  0.8849  5.8  
 Peak 2  tR1  20.132  8.3161  0.9199  5.9*  
 Peak 2  tR2  20.191  8.3434  0.9213  5.9*  
 Peak 2  tRm  20.162  8.3297  0.9206  5.9*  
 Peak 3  tR1  25.517  10.8080  1.0337  6.3*  
 Peak 3  tR2  25.585  10.8394  1.0350 6.3*   
 Peak3  tRm  25.551  10.8237  1.0344  6.3*  
 Peak 4  tR1  113.597  51.5669  1.7124  8.6*  
 Peak 4  tR2  114.144  51.8200  1.7145  8.6*  
 Peak 4  tRm  113.871  51.6934  1.7134  8.6*  
   aR1  aR2  aRm      
 Peak 1  118970 101562   4.6      
Peak 2   57664  60306  2.5      
 Peak 3  186270  188608  7.9      
 Peak 4  2097077  1949226  85.0      

* Peak outside the calibration range !

Applicant's summary and conclusion

Conclusions:
In the conditions of the test, the chromatograms of Safester A-75 show four peaks at average retention times of 18.741 minutes (4.6% relative peak area), corresponding to a partition coefficient (log value) of 5.8; 20.162 minutes (2.5% relative peak area), corresponding to a partition coefficient (log value) of 5.9*; 25.551 minutes (7.9% relative peak area), corresponding to a partition coefficient (log value) of 6.3* and 113.871 minutes (85.0% relative peak area), corresponding to a partition coefficient (log value) of 8.6*.
Therefore:


Partition coefficients n-octanol/water of Safester A-75:

log Pow = 5.8; 5.9*; 6.3* and 8.6*

* indicative value, peak is outside calibration domain
Executive summary:

The Partition Coefficient n-octanol/water of Safester A-75 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.

 

The result is:

Partition coefficients n-octanol/water of Safester A-75:     

 

 

log Pow= 5.8; 5.9*; 6.3* and 8.6*

                

 

* indicative value, peaks is outside calibration domain