Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
14 February 2018 to 10 April 2018
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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
23 November 2004
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Test material form:
liquid
Details on test material:
Appearance: Straw to yellow syrup
Purity/Composition: Not indicated
Test item storage: At room temperature

Additional information
Test Facility test item number: 209099/A
Purity/Composition correction factor: No correction factor required
Test item handling: No specific handling conditions required
Specific details on test material used for the study:
Appearance: Straw to yellow syrup
Purity/Composition: Not indicated
Test item storage: At room temperature

Additional information
Test Facility test item number: 209099/A
Purity/Composition correction factor: No correction factor required
Test item handling: No specific handling conditions required

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 6.9
Temp.:
308 K
pH:
ca. 7
Remarks on result:
other: Major component

Any other information on results incl. tables

Results - HPLC method

UPLC-UV chromatograms of the test item solution and corresponding blank are shown in Figure 4 (attached) and Figure 5 (attached) , respectively. In the chromatogram of the test solution, many test item peaks were observed.

The results of the HPLC method are given in the table below. Figure 6 (attached) shows the calibration curve of the log k’ of the reference substances as function of log Pow. The equation of the regression line was: log k’ = 0.322´log Pow– 0.808 (r = 0.994, n = 18).


 Powof the Test Item

Substance

Retention time (min)

log Pow

Pow

Peak area
(%)

tr,1

tr,2

mean

Formamide (t0)

0.601

0.600

0.601

 

 

 

Benzylalcohol

0.768

0.768

0.768

1.1

 

 

Nitrobenzene

0.940

0.940

0.940

1.9

 

 

Toluene

1.479

1.480

1.480

2.7

 

 

1,4-Dichlorobenzene

1.898

1.900

1.899

3.4

 

 

Biphenyl

2.534

2.538

2.536

4.0

 

 

Dibenzyl

4.177

4.183

4.180

4.8

 

 

Triphenylamine

7.615

7.623

7.619

5.7

 

 

4,4’-DDT

10.871

10.881

10.876

6.5

 

 

Benzo[ghi]perylene

17.225

17.286

17.256

7.2

 

 

Test item – peak 1

1.992

2.003

1.998

3.7

4.5´103

0.036

Test item – peak 2

2.503

2.498

2.501

4.1

1.2´104

0.034

Test item – peak 3

2.685

2.673

2.679

4.2

1.5´104

0.034

Test item – peak 4

2.962

2.965

2.964

4.4

2.3´104

0.23

Test item – peak 5

3.115

3.107

3.111

4.4

2.8´104

0.069

Test item – peak 6

3.219

3.208

3.214

4.5

3.1´104

0.13

Test item – peak 7

3.492

3.497

3.495

4.6

4.3´104

0.23

Test item – peak 8

3.557

3.554

3.556

4.7

4.6´104

0.46

Test item – peak 9

3.925

3.938

3.932

4.8

6.7´104

0.13

Test item – peak 10

4.253

4.257

4.255

5.0

8.9´104

1.1

Test item – peak 11

9.348

9.345

9.347

6.1

1.3´106

0.70

Test item – peak 12

10.780

10.776

10.778

6.3

2.2´106

8.5

Test item – peak 13

11.400

11.402

11.401

6.4

2.6´106

1.2

Test item – peak 14

11.988

11.989

11.989

6.5

3.0´106

1.1

Test item – peak 15

14.268

14.262

14.265

6.7

5.4´106

2.2

Test item – peak 16
(major component)

16.507

16.486

16.497

6.9

8.6´106

37

Test item – peak 17

19.912

19.911

19.912

> 7.2

>1.6´107

1.3

Test item – peak 18

20.551

20.551

20.551

> 7.2

>1.6´107

1.1

Test item – peak 19

22.787

22.791

22.789

> 7.2

>1.6´107

27

Test item – peak 20

23.244

23.250

23.247

> 7.2

>1.6´107

5.5

Test item – peak 21

23.428

23.434

23.431

> 7.2

>1.6´107

11

Test item – peak 22

24.379

24.388

24.384

> 7.2

>1.6´107

1.5

 

Applicant's summary and conclusion

Conclusions:
The octanol-water partition coefficient of the test substance was determined to be 6.9 Log Pow at 308 ±1 K, under the conditions of the test.
Executive summary:

In this guideline (OECD 117) study, conducted with GLP certification, the octanol-water partition coefficient was found to be 6.9 Log Pow at 308 ±1 K.