Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 - 14 Feb 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
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
April 13, 2004
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
9-Octadecenoic acid (Z)-, ester with oxybis[propanediol] (2:3)
EC Number:
289-147-1
EC Name:
9-Octadecenoic acid (Z)-, ester with oxybis[propanediol] (2:3)
Cas Number:
86088-80-4
Molecular formula:
not applicable, the substance is UVCB
IUPAC Name:
9-Octadecenoic acid (Z)-, ester with oxybis[propanediol] (2:3)

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
>= 2 - <= 5.5
Temp.:
20 °C
Remarks on result:
other: pH was not measured
Remarks:
8 peaks observed with individual log Pow values: 2.0, 2.7, 4.4, 4.6, 4.7, 5.2, 5.4 and 5.5
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
20 °C
Remarks on result:
other: pH was not measured.
Remarks:
Some components of the substance showed a retention time far higher than that of DDT. The log Pow of these substance was not determined. These constituents were regarded as 'not analytical targets' in the study report.

Any other information on results incl. tables

The calibration results obtained for the reference item are summarized in the following table.

Reference item

tR

k

log k

log Pow

Thiourea (dead time)

a

1.87

t0 = 1.88

b

1.88

2-Butanone

a

2.40

0.280

-0.553

0.3

b

2.40

0.280

-0.553

0.3

Acetophenone

a

2.80

0.493

-0.307

1.7

b

2.81

0.499

-0.302

1.7

Methyl benzoate

a

3.19

0.701

-0.154

2.1

b

3.20

0.707

-0.151

2.1

Isopropylbenzene

a

5.59

1.981

0.297

3.7

b

5.60

1.987

0.298

3.7

n-Buthylbenzene

a

7.35

2.920

0.465

4.6

b

7.37

2.930

0.467

4.6

DDT

a

13.04

5.955

0.775

6.5

b

13.05

5.960

0.775

6.5

(a, b: individual sample)

 

The following log Pow regression equation was obtained from the calibration:

log Pow = 4.380 * log k + 2.764

r = 0.993

 

The results of the log Pow determination for the test item are summarized in the following table.

Test item

tR

k

log k

log Pow

Average log Pow

Peak 1-a

3.13

0.669

-0.174

2.0

2.0

Peak 1-b

3.13

0.669

-0.174

2.0

Peak 2-a

3.72

0.984

-0.007

2.7

2.7

Peak 2-b

3.72

0.984

-0.007

2.7

Peak 3-a

6.38

2.403

0.381

4.4

4.4

Peak 3-b

6.36

2.392

0.379

4.4

Peak 4-a

6.79

2.621

0.419

4.6

4.6

Peak 4-b

6.77

2.611

0.417

4.6

Peak 5-a

7.18

2.829

0.452

4.7

4.7

Peak 5-b

7.16

2.819

0.450

4.7

Peak 6-a

8.74

3.661

0.564

5.2

5.2

Peak 6-b

8.72

3.651

0.562

5.2

Peak 7-a

9.54

4.088

0.612

5.4

5.4

Peak 7-b

9.52

4.077

0.610

5.4

Peak 8-a

9.91

4.285

0.632

5.5

5.5

Peak 8-b

9.88

4.269

0.630

5.5

 

It is judged that all of the test results are valid because the difference between two measured values of each peak was within ±0.1.

The test item is a UVCB. The HPLC gradient analysis was performed with the aim of measuring the partition coefficient of all test item components. As a result, eight peaks in the chromatogram were found to be within the retention time range defined by the reference substances. The log Pow values associated to these peaks were therefore calculated.

Twelve peaks were detected with retention time starting from ca. 130 minutes. Such retention times are far higher than that of DDT (ca. 13 minutes). The log Pow values of these peaks were therefore not calculated and are considered to be more than 6.5 (log Pow of DDT).

Applicant's summary and conclusion