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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
23 Oct - 21 Dec 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Remarks:
Hess. Ministerium für Umwelt, Klimaschutz, Landwirtschaft und Verbraucherschutz, Wiesbaden, Germany
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
O,O-bis(2-ethylhexyl) hydrogen dithiophosphate
EC Number:
227-376-0
EC Name:
O,O-bis(2-ethylhexyl) hydrogen dithiophosphate
Cas Number:
5810-88-8
Molecular formula:
C16H35O2PS2
IUPAC Name:
O,O-bis(2-ethylhexyl) sulfanylphosphonothioate
Specific details on test material used for the study:
Storage conditions: At ambient temperature

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
5.1
pH:
2
Remarks on result:
other: Oven temperature of LC: 50 °C

Any other information on results incl. tables

Results
HPLC Method
Table 1 – Retention times of reference measurement

Run 1

Run 2

Average

Substance

log Pow*

tR

tR

tR

 #

 

[min]

[min]

[min]

Formamide

-

0.890

0.889

0.890

Benzyl acohol

1.1

1.210

1.216

1.213

Acetophenone

1.7

1.430

1.429

1.430

Benzene

2.1

2.147

2.152

2.150

Allylphenylether

2.9

2.784

2.786

2.785

Naphthalene

3.6

3.644

3.652

3.648

Biphenyl

4.0

5.210

5.209

5.210

Phenanthrene

4.5

6.954

7.002

6.978

Fluoranthene

5.1

9.674

9.686

9.680

Triphenylamine

5.7

14.470

14.476

14.473

4,4‘-DDT

6.5

21.090

21.092

21.091

*The log Pow values are given by the OECD 117

Table 2 – Retention times of test item measurement

 

Run 1

Run 2

Substance

tR

tR

#

[min]

[min]

Formamide

0.889

0.890

Test Item

9.769

9.787

 

Calculation of the partition coefficient log Pow
Table 3 – Capacity factors

Substance

log Pow

k

log k

#

[/]

[/]

[/]

Benzyl acohol

1.1

0.36

-0.44

Acetophenone

1.7

0.61

-0.22

Benzene

2.1

1.42

0.15

Allylphenylether

2.9

2.13

0.33

Naphthalene

3.6

3.10

0.49

Biphenyl

4.0

4.86

0.69

Phenanthrene

4.5

6.84

0.84

Fluoranthene

5.1

9.88

0.99

Triphenylamine

5.7

15.27

1.18

4,4‘-DDT

6.5

22.71

1.36

 

Test Item Run 1

 

9.99

1.00

Test Item Run 2

 

10.00

1.00

 

Table 4 – Calculated log Pow values of test item

Test item

Run 1

Run 2

average

#

[/]

[/]

[/]

Additin RC 3180 Säure

5.1

5.1

5.1

 

Discussion
The partition coefficient of the test item was determined according to OECD Guideline 117.

Log Pow = 5.1 at pH 2.0

All validity criteria were met. The correlation coefficient is above 0.9 and the difference between the two measurements is smaller than 0.1 log Pow units.

Applicant's summary and conclusion