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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:
From September 08,2008 to November 22,2008
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP with certificate.The study is clear and complete in any parts. The substance is well identified, the method is suitable for the substance.
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 6.2
Temp.:
22 °C
pH:
ca. 6
Remarks on result:
other: start minimum value 2.7
Details on results:
Esterol A gives six peaks of cromathogram. Four retention time superior to the highest point of the calibration curve. So for those four peaks the long Pow is highest than 6.2 The two first minor peaks are on the calibration curve with Log Pow 2.7 and 3.0

Products Mean Retention Time (min) Value of the Capacity Factor K' Value of Log K' Value of Log Pow
Formamide 1.26      
Toluene 1.97 0.56349206 -0.2491122 2.7
Ethylbenzene 2.32 0.841269841 -0.07506468 3.2
Biphenyle 2.86 1.269841271 0.103749438 4.0
1,2,4-trichlorobenzene 3.25 1.579365078 0.198482531 4.2
Phenanthrene 3.79 2.007936508 0.302749976 4.5
Dibenzyle 4.05 2.214285713 0.345233658 4.8
Triphenylamine 6.11 3.849206345 0.585371193 5.7
DDT 7.44 4.904761905 0.69061793 6.2

Using the Capacity factor K' and the partition coefficient log Pow of the reference items, the following calibration curve was obtained:

log Pow=3.708 log K' + 3.531

r²=0.9939

Esterol A gives six peaks on the chromatogram.Four of them have a retention time superior to the DDT which is the highest point of the calibration curve.So for that four peaks the log Pow is higher than 6.2.The two first minor peaks are on the calibration curve, so a value of log Pow can be calculated.The following table gives the percentage of area and the log Pow values obtanied for 3 injections (repeatability control) and calculated from the UV trace at 210 nm.These value were calculated using the precedent regression equation with the corresponding retention time.

Peak number Injection number Time (min.) Average rention time Area % Average % area Log Pow
  1 2.04   6.07    
1 2 2.03 2.03 6.13 6.1 2.7
  3 2.03   6.1    
  1 2.17   1.95    
2 2 2.17 2.17 2.04 2.0 3.0
  3 2.17   1.87    
  1 > 7.44   91.35    
3,4,5, and 6 2 > 7.44 > 7.44 91.83 91.7  > 6.2
  3 > 7.44   92.03    
Conclusions:
Mean Log Pow for the 6 peaks of Esterol A for 3 determinations are 2.7 , 3.0 > 6.2. The value of 6.2 is taken as definitive
Executive summary:

The partition coefficient of Fatty Acids C16 -C18 and C18 -unstd., Me esters has been measured according to Council Regulation (EC) No. 440/2008, Method A.8, by HPLC method

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
6.2
at the temperature of:
25 °C

Additional information

Read Across Statement

Fatty acids, vegetable-oil, Me esters (EINECS 273-606-8) is a typical Biodiesel product and is produced and specified according to DIN EN 14214. The DIN EN 14214 specifies all relevant physchem data. Not meeting these parameters the product cannot be placed to the market. Based on the raw material source the product can be named differently. The product used for this test, Fatty acids C16-C18 and C18-unsatd., Me esters (EINECS 267-015-4), is also a Biodiesel and fulfills the DIN EN 14214.

The partition coefficient is not a standard endpoint of the DIN EN 14214. Therefore the test was performed with EC 267-015-4 and read across to EC 273-606-8.