Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental starting date: 17 October 2017. Experimental completion date: 17 January 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

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

Materials and methods

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

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Details on test material:
Identification: 1-(methylamino)-4-[(3-methylphenyl)amino] anthraquinone
Physical state/Appearance: dark red powder
Batch: 702W01
Purity: 99.4%
Expiry Date: 08 February 2020
Storage Conditions: room temperature in the dark
Intended use/Application: industrial chemical

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
> 6.5
Remarks on result:
other: HPLC method
Remarks:
pH not reported

Any other information on results incl. tables

  Results

 PreliminaryEstimate

The log10Powwas calculated to be:   6.47

 DefinitiveTest

Calibration

The retention times of the dead time and the retention times, capacity factors (k') and log10 Powvalues for the reference standards are shown in the following tables:

Dead Time

Retention Time (mins)

Mean Retention Time (mins)

Injection 1

Injection 2

Thiourea

1.531

1.774

1.653

Standard

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Injection 1

Injection 2

Mean

Benzene

2.434

2.172

2.303

0.394

-0.405

2.1

Toluene

2.843

2.736

2.790

0.688

-0.162

2.7

Naphthalene

3.217

3.168

3.193

0.932

-0.031

3.6

Phenanthrene

5.024

4.835

4.930

1.983

0.297

4.5

Triphenylamine

10.432

10.515

10.474

5.338

0.727

5.7

DDT

12.541

13.071

12.806

6.749

0.829

6.5

Partition coefficient of sample

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

Injection

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

1

14.738

7.92

0.899

> 6.5

2

15.569

8.42

0.925

> 6.5

Mean log10Pow:         > 6.5

Partition coefficient:  > 3.2 x 106

     Discussion

The result from the preliminary estimation indicated that the HPLC method was suitable for determination of partition coefficient for this test item.

The small peak (0.3% by area normalization) at approximately 7.2 mins in the sample chromatograms was considered to be due to an impurity in the test item.

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item has been determined to be greater than 3.2 x 106, log10 Pow greater than 6.5.