Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
10 February 2009 - 08 May 2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study has been performed according to OECD and EC guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report Date:
2009

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
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
Details on test material:
- Name of test material (as cited in study report): Custom Red #2
- Substance type: violet powder
- Physical state: solid
- Purity test date: no data
- Lot/batch No.: C50APR0805D
- Expiration date of the lot/batch: 08 January 2011
- Stability under storage conditions: stable
- Storage condition of test material: at room temperature in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
7.7
Temp.:
25 °C
pH:
ca. 7

Any other information on results incl. tables

In the chromatogram of the test substance solution, five components related to the test substance were observed. No strong hydrophobic compounds were observed in the gradient of the analytical method.

 

The results of the HPLC method (neutral pH) are given in the Table:

Substance

tr,1

tr,2

mean tr

(n=2)

log Pow

Pow

Area

%

 

 

 

 

 

 

 

Thiourea (t0)

1.036

1.010

1.023

 

 

 

 

 

 

 

 

 

 

Benzylalcohol

1.239

1.222

 

1.1

 

 

Nitrobenzene

1.438

1.423

 

1.9

 

 

Toluene

1.781

1.781

 

2.7

 

 

Bromobenzene

1.709

1.702

 

3.0

 

 

1,4-Dichlorobenzene

1.864

1.851

 

3.4

 

 

Biphenyl

1.765

1.763

 

4.0

 

 

1,2,4-Trichlorobenzene

2.004

2.012

 

4.2

 

 

Dibenzyl

1.964

1.971

 

4.8

 

 

Fluoranthene

1.701

1.702

 

5.1

 

 

Triphenylamine

1.940

1.947

 

5.7

 

 

2,4-DDT

2.049

2.055

 

6.5

 

 

 

 

 

 

 

 

 

Compound 1

2.719

2.695

2.707

7.7

5.5x107

13

Compound 2

3.133

3.101

3.117

8.7

4.8x108

24

Compound 3

3.530

3.518

3.524

9.5

2.8´109

2.4

Compound 4

4.810

4.749

4.780

11.2

1.6x1011

6.0

Compound 5

5.950

5.877

5.914

12.4

2.3x1012

55

 

 

 

 

 

 

 

Applicant's summary and conclusion

Conclusions:
The Pow and log Pow value of the test substance with a peak area of > 1% determined by the HPLC method are given below. The test was performed with a THF soluble fraction of the test substance. The results were obtained by extrapolation of the curve.

Compound 1: Pow: 5.5 x 10^7; log Pow: 7.7
Compound 2: Pow: 4.8 x 10^8; log Pow: 8.7
Compound 3: Pow: 2.8 x 10^9; log Pow: 9.5
Compound 4: Pow: 1.6 x 10^11; log Pow: 11.2
Compound 5: Pow: 2.3 x 10^12; log Pow: 12.4