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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
03 January 2012- 19 March 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.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(2008)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(2004)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Details on test material:
- Physical state: Clear colourless/slightly yellow, sticky resin
- Stability under test conditions: Stable
- Storage condition of test material: At room temperature protected from light
-Stability at higher temperatures: Maximum 1 month at 50°C
- General information: Avoid heat, direct sunlight, acid and base

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
1.4
Temp.:
35 °C
Remarks on result:
other: Not buffered. Peak 3 (area of 49%).
Type:
log Pow
Partition coefficient:
3.9
Temp.:
35 °C
Remarks on result:
other: Not buffered. Peak 7 (area of 30%).
Type:
log Pow
Partition coefficient:
<= 0.3
Temp.:
35 °C
Remarks on result:
other: Not buffered. Peak 1 (area 0.90%)
Type:
log Pow
Partition coefficient:
>= 0.6 - 6.2
Temp.:
35 °C
Remarks on result:
other: Not buffered. Peaks 2 to 13 (included), without peaks 1, 3 and 7. Peak areas ranging from 0.55% to 5.9% (included).
Details on results:
In the HPLC chromatogram of the test solution, 13 different peaks were observed. Individual results: see table below. The equation of the regression line was: log k` = 0.305 x log Pow – 0.707 (r = 0.98; n=12). Chromatograms and regression line: see attachment.

Any other information on results incl. tables

Table: Powof the test substance

 

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Pow

Pow

Area
%

 

 

 

 

 

 

 

Formamide (t0)

1.141

1.136

1.139

 

 

 

 

 

 

 

 

 

 

Ethylmethylketone

1.352

1.351

 

0.3

 

 

Toluene

3.029

3.020

 

2.7

 

 

1,4-Dichlorobenzene

3.919

3.905

 

3.4

 

 

Dibenzyl

7.878

7.813

 

4.8

 

 

Fluoranthene

10.930

10.799

 

5.1

 

 

4,4’-DDT

16.807

16.645

 

6.5

 

 

 

 

 

 

 

 

 

NS203602 Peak1

1.398

1.397

1.398

<0.3

<2.0

0.90

NS203602 Peak2

1.483

1.483

1.483

0.6

4.1

2.0

NS203602 Peak3

1.723

1.724

1.724

1.4

2.3 x 101

49

NS203602 Peak4

2.310

2.316

2.313

2.4

2.3 x 102

2.3

NS203602 Peak5

3.017

3.022

3.020

3.0

1.1 x 103

1.8

NS203602 Peak6

3.461

3.482

3.472

3.3

2.2 x 103

0.83

NS203602 Peak7

4.710

4.740

4.725

3.9

8.9 x 103

30

NS203602 Peak8

5.450

5.474

5.462

4.2

1.6 x 104

0.71

NS203602 Peak9

6.110

6.146

6.128

4.4

2.6 x 104

0.55

NS203602 Peak10

7.341

7.387

7.364

4.7

5.4 x 104

5.2

NS203602 Peak11

11.179

11.201

11.190

5.4

2.6 x 105

0.67

NS203602 Peak12

11.529

11.742

11.636

5.5

3.0 x 105

0.70

NS203602 Peak13

18.531

18.525

18.528

6.2

1.6 x 106

5.9

 

 

 

 

 

 

 

Applicant's summary and conclusion

Conclusions:
The log Pow of the test substance components ranges from ≤ 0.3 to 6.2 (13 peaks in total).
Log Pow values for the two major peaks (49% and 30% peak area) were 1.4 and 3.9, respectively.
Log Pow values for two other large peaks (5.2% and 5.9% peak area) were 4.7 and 6.2 respectively.
The log Pow values for the 9 smaller peaks (areas from0.55 to 2.3%) ranges from ≤ 0.3 to 5.5.

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