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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental Starting Date: 23 April 2012 Experimental Completion Date: 01 June 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2012

Materials and methods

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

Test material

Constituent 1
Reference substance name:
Isostearamide DEA
IUPAC Name:
Isostearamide DEA
Details on test material:
Identification: Isostearamide DEA
Description: Amber colored liquid
Batch: OE11124 (6/202593/00)
Purity: 100 %
Expiry / Retest Date: Not supplied
Storage Conditions: Room temperature in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
> 3.29 - < 8.17
Temp.:
40 °C
pH:
5.2

Any other information on results incl. tables

Results

Definitive Test

Please see Attachment 3 of this Summary for the Typical Chromatography.

Calibration

The retention times of the dead time and the retention times, capacity factors (k') and log10Powvalues for the reference standards are shown in the following tables:

 

Table 3.13

 

Dead Time

Retention Time (mins)

Mean Retention Time (mins)

Injection 1

Injection 2

Thiourea

1.676

1.676

1.676

 

Table 3.14

 

Standard

Retention Time (mins)

Mean Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Injection 1

Injection 2

2-Butanone

1.975

1.977

1.976

0.179

-0.747

0.3

Naphthalene

3.491

3.493

3.492

1.084

3.484 x 10-2

3.6

Phenanthrene

4.840

4.845

4.843

1.889

0.276

4.5

Triphenylamine

7.741

7.749

7.745

3.621

0.559

5.7

DDT

8.962

8.969

8.966

4.349

0.638

6.5

1-Phenyltridecane

74.000

74.039

74.020

43.164

1.635

9.4

Partition coefficient of sample

The retention times, capacity factor and log10Powvalue determined for the sample are shown in the following table:

 

Table 3.15

 

Peak No.

Injection

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Mean

% Area

1

1

3.202

0.911

-4.072 x 10-2

3.28

3.29

<0.1

2

3.214

0.918

-3.732 x 10-2

3.29

2

1

3.506

1.092

3.818 x 10-2

3.59

3.60

<0.1

2

3.525

1.103

4.266 x 10-2

3.61

3

1

3.724

1.222

8.706 x 10-2

3.78

3.77

<0.1

2

3.712

1.215

8.450 x 10-2

3.77

4

1

3.823

1.281

0.108

3.86

3.86

<0.1

2

3.831

1.286

0.109

3.87

5

1

3.993

1.382

0.141

3.99

3.99

<0.1

2

3.998

1.385

0.142

3.99

6

1

5.024

1.998

0.301

4.61

4.62

3.1

2

5.029

2.001

0.301

4.62

7

1

5.420

2.234

0.349

4.80

4.81

5.5

2

5.427

2.238

0.350

4.81

8

1

6.084

2.630

0.420

5.08

5.08

1.0

2

6.092

2.635

0.421

5.08

9

1

6.494

2.875

0.459

5.23

5.24

0.3

2

6.511

2.885

0.460

5.24

10

1

6.720

3.010

0.479

5.31

5.31

0.2

2

6.744

3.024

0.481

5.32

11

1

7.048

3.205

0.506

5.42

5.42

1.8

2

7.060

3.212

0.507

5.42

12

1

7.693

3.590

0.555

5.61

5.61

0.2

2

7.707

3.598

0.556

5.61

13

1

8.447

4.040

0.606

5.81

5.81

1.9

2

8.462

4.049

0.607

5.81

14

1

8.979

4.357

0.639

5.94

5.94

2.0

2

9.000

4.370

0.640

5.94

Table 3.15 (continued)

 

Peak No.

Injection

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Mean

% area

15

1

9.828

4.864

0.687

6.12

6.13

7.0

2

9.850

4.877

0.688

6.13

16

1

11.524

5.876

0.769

6.45

6.45

20.3

2

11.548

5.890

0.770

6.45

17

1

12.724

6.592

0.819

6.64

6.64

7.5

2

12.758

6.612

0.820

6.65

18

1

14.182

7.462

0.873

6.85

6.85

17.9

2

14.229

7.490

0.874

6.86

19

1

15.080

7.998

0.903

6.97

6.97

26.3

2

15.121

8.022

0.904

6.97

20

1

16.582

8.894

0.949

7.15

7.15

3.4

2

16.628

8.921

0.950

7.15

21

1

19.745

10.781

1.033

7.48

7.48

0.4

2

19.811

10.820

1.034

7.48

22

1

26.016

14.523

1.162

7.98

7.99

0.3

2

26.128

14.589

1.164

7.99

23

1

28.804

16.186

1.209

8.17

8.17

0.3

2

28.937

16.266

1.211

8.17

 

Overall log10Pow:                   In the range 3.29 to 8.17
Partition coefficient:             In the range 1.93 x 103to 1.48 x 108

 

For 99.7 % of the test item (peaks 6 to 23), based on percentage area normalization:

 

Log10Pow:                             In the range 4.62 to 8.17
Partition coefficient:             In the range 4.12 x 104to 1.48 x 108

 

The weighted average log10 Powwas 6.46.

 

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item has been determined to be in the range 1.93 x 103 to 1.48 x 108, log10 Pow in the range 3.29 to 8.17. The weighted average log10 Pow was 6.46.
Executive summary:

The determination was carried out using the HPLC Method designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

 

The test system consisted of a high performance liquid chromatograph (HPLC) with a suitable detector. A reverse phase HPLC column with a very low percentage of polar groups was used.

   

Conclusion

The partition coefficient of the test item has been determined to be in the range 1.93 x 103to 1.48 x 108, log10Pow in the range 3.29 to 8.17. The weighted average log10 Powwas 6.46.