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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identification: C.I. Solvent Red 164 Solid
Appearance/Physical state: dark red /dark purple solid
Batch: ZA07192016
Purity: >99%
Expiry date: 18 July 2019
Storage conditions: room temperature in the dark
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
30 °C
pH:
6.4

Preliminary Estimate Results:

The log10Powwas calculated to be:    approximately 11

Definitive Test Results:

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:

Dead Time

Retention Time (mins)

Mean Retention Time (mins)

Injection 1

Injection 2

Thiourea

1.846

1.846

1.846

Standard

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Injection 1

Injection 2

Mean

Benzene

2.974

2.979

2.976

0.612

-0.213

2.1

Toluene

3.639

3.644

3.642

0.972

-1.22 x 10-2

2.7

Naphthalene

4.193

4.203

4.198

1.27

0.105

3.6

Phenanthrene

6.492

6.511

6.501

2.52

0.402

4.5

Triphenylamine

13.605

13.664

13.635

6.38

0.805

5.7

DDT

20.423

20.500

20.462

10.1

1.00

6.5

 

Partition coefficient of sample:

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

Peak

Injection

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Mean
Log10Pow

1

1

29.874

15.2

1.18

> 6.5

> 6.5

2

29.589

15.2

1.18

> 6.5

2

1

30.141

15.3

1.19

> 6.5

> 6.5

2

30.121

15.3

1.19

> 6.5

3

1

30.826

15.7

1.20

> 6.5

> 6.5

2

30.802

15.7

1.20

> 6.5

4

1

31.239

15.9

1.20

> 6.5

> 6.5

2

31.205

15.9

1.20

> 6.5

 Overall log10Pow:                   greater than 6.5
Overall Partition coefficient: greater than 3.16 x 106

Discussion:

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

Conclusions:
The partition coefficient of the test item has been determined to be greater than 3.16 x 10^6, log10 Pow > 6.5.
Executive summary:

Partition Coefficient (n-octanol/water). Greater than 3.16 x 106, log10Pow> 6.5, using the HPLC method, designed to be compatible with Method A.8 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.

Description of key information

Partition Coefficient (n-octanol/water). Greater than 3.16 x 106, log10Pow> 6.5, using the HPLC method, designed to be compatible with Method A.8 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.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.5
at the temperature of:
30 °C

Additional information

The partition coefficient of the test item has been determined to be greater than 3.16 x 106, log10Pow> 6.5.