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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:
28 November 2011- 03 February 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study has been performed according to OECD and EC guidelines and according to the principles of GLP.
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(2008)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(2004)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
25 °C
Remarks on result:
other: Not buffered. Peak 1 (area of 0.11%).
Type:
log Pow
Partition coefficient:
>= 0.5 - <= 1.9
Temp.:
25 °C
Remarks on result:
other: Not buffered. Peaks 2 to 10 (included), without peak 8. Peak areas ranging from 0.23% to 19% (included).
Type:
log Pow
Partition coefficient:
1.7
Temp.:
25 °C
Remarks on result:
other: Not buffered. Peak 8 (area of 62%). Major component.
Details on results:
In the HPLC chromatogram of the test solution, one major peak (peak 8) and several small test substance peaks were observed. Individual results: see table below. The equation of the regression line was: log k` = 0.585 x log Pow – 0.530 (r = 0.9991; n=6). Chromatograms and regression line: see attachment.

Table: Powof the test substance

 

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Pow

Pow

Area
%

 

 

 

 

 

 

 

Formamide

1.144

1.147

1.146

 

 

 

 

 

 

 

 

 

 

Ethylmethylketone

1.677

1.682

1.680

0.3

 

 

Benzylalcohol

2.503

2.505

2.504

1.1

 

 

Nitrobenzene

5.438

5.440

5.439

1.9

 

 

Toluene

15.381

15.387

15.384

2.7

 

 

Bromobenzene

19.751

19.756

19.754

3.0

 

 

1,4-Dichlorobenzene

33.129

33.137

33.133

3.4

 

 

 

 

 

 

 

 

 

NS 203563 Peak1

0.939

0.913

0.926

<0.3

< 2.0

0.11

NS 203563 Peak2

1.784

1.833

1.809

0.5

3.2

0.65

NS 203563 Peak3

1.939

1.935

1.937

0.6

4.3

1.2

NS 203563 Peak4

2.333

2.322

2.328

0.9

8.5

0.23

NS 203563 Peak5

3.071

3.070

3.071

1.3

20

4.7

NS 203563 Peak6

3.302

3.301

3.302

1.4

24

19

NS 203563 Peak7

4.177

4.175

4.176

1.6

43

3.7

NS 203563 Peak8

4.490

4.489

4.490

1.7

50

62

NS 203563 Peak9

4.791

4.789

4.790

1.8

58

8.2

NS 203563 Peak10

5.400

5.401

5.401

1.9

76

0.92

 

Conclusions:
The log Pow for the major component in bis(2,3-epoxypropyl) cyclohexane-1,2-dicarboxylate is 1.7. The log Pow for 9 minor components ranges from < 0.3 to 1.9.

Description of key information

The log Pow of the main component (peak area 62%)  is 1.7 (EC A.8, OECD 117: HPLC method). 

Key value for chemical safety assessment

Log Kow (Log Pow):
1.7
at the temperature of:
25 °C

Additional information

The log Pow of several minor components ranged from< 0.3 to 1.9 (9 different peaks with peak areas ranging from from 0.11 to 19%).