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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
11 January 2012- 25 April 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study has been performed according to OECD and EC guidelines and according to the principles of GLP.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(2008)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(2004)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
(1996)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Remarks:
Based on the calculated pKa values, the HPLC method was performed at pH 2 and at pH 8.
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): Paz-E
Substance type: mono-constituent
Physical state: white powder
Expiration date of the lot/batch: 25 November 2012
Storage condition of test material: At room temperature protected from light in desiccator (sample is hygroscopic)
Stability under test conditions: Stable

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
5.2
Temp.:
35 °C
pH:
2
Remarks on result:
other: Pow= 1.6*10^5
Type:
log Pow
Partition coefficient:
5.2
Temp.:
35 °C
pH:
8
Remarks on result:
other: Pow= 1.6*10^5
Details on results:
In each of the HPLC chromatograms (pH 2 and pH 8) of the test solutions, one test substance peak was observed. Individual results: see table below. Chromatograms and regression lines: see attachment.

Equation of the regression line at pH 2: log k` = 0.285 x log Pow – 0.623 (r = 0.98; n=12).

Equation of the regression line at pH 8: log k` = 0.282 x log Pow – 0.577 (r = 0.98; n=12).

Any other information on results incl. tables

Table: Test results Pow at pH 2

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Pow

Pow

 

 

 

 

 

 

Formamide (t0)

1.111

1.110

1.111

 

 

 

 

 

 

 

 

Nitrobenzene

1.805

1.803

1.804

1.9

 

Toluene

2.941

2.936

2.939

2.7

 

1,4-Dichlorobenzene

3.805

3.797

3.801

3.4

 

Dibenzyl

7.639

7.618

7.629

4.8

 

Fluoranthene

10.832

10.799

10.816

5.1

 

4,4’-DDT

15.663

15.624

15.644

6.5

 

 

 

 

 

 

 

Test substance

9.191

9.196

9.194

5.2

1.6*105

 

 

 

 

 

 

 

Table: Test results Powat pH 8

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Pow

Pow

 

 

 

 

 

 

Formamide (t0)

1.073

1.073

1.073

 

 

 

 

 

 

 

 

Nitrobenzene

1.793

1.795

1.794

1.9

 

Toluene

3.064

3.068

3.066

2.7

 

1,4-Dichlorobenzene

4.006

4.012

4.009

3.4

 

Dibenzyl

8.266

8.281

8.274

4.8

 

Triphenylamine

13.029

13.058

13.044

5.7

 

4,4’-DDT

17.021

17.061

17.041

6.5

 

 

 

 

 

 

 

Test substance

9.306

9.312

9.309

5.2

1.6*105

 

 

 

 

 

 

 

 

Applicant's summary and conclusion

Conclusions:
The log Pow of Paz-E at 35°C is 5.2 at both pH 2 and pH 8 (Pow= 1.6*10^5).