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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
11 February 2011 – 04 May 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study has been performed according to OECD and EC guidelines and in compliance with GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
(1995)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(Official Journal of the European Union no. L142, May 31, 2008)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask 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): E-BW102
- Description: Reddish brown powder
- Batch: MB-1
- Test substance storage: At room temperature protected from light
- Stability under storage conditions: Stable
- Expiry date: 23 December 2015

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
< 0.001
Temp.:
20 °C
pH:
7.1
Type:
log Pow
Partition coefficient:
< -3.2
Temp.:
20 °C
pH:
7.1
Details on results:
The log Pow values were within the criterion range of ± 0.3 log units.

No test substance was detected in the pretreated samples from the blank mixture.

Any other information on results incl. tables

The results of the shake flask method are given in the Table below:

Main study – Pow of the test substance

Ratio

n-octanol : buffer pH 7

 

[v:v]

Analysed concentration

Pow 

Log Pow

pH

n-octanol

[g/l]

buffer pH 7

[g/l]

individual

1:1

 

 1:2

 

 

2:1

< 0.000583

< 0.000587

 

< 0.000585

< 0.000592

 

< 0.000581

< 0.000593

0.683

0.697

 

0.510

0.541

0.959

1.00

< 8.54 x 10 -4

< 8.43 x 10 -4

 

< 1.15 x 10 -3

< 1.10 x 10 -3

 

< 5.84 x 10 -4

< 5.91 x 10 -4

< -3.1

< -3.1

 

< -2.9

< -3.0

 

< -3.2

< -3.2

7.1

7.1

 

7.1

7.1

 

7.1

7.1

The results on the recoveries of the test substance in the test samples are given in the Table below. The analysed concentration of the stock solution was 2.06 g/l. Based on this the nominal quantity of the test substance in the test samples was 4.11 mg.

Recoveries

Ratio

n-octanol : buffer pH 7

 

[v:v]

Analysed quantity

Recovery

 

 

[%]

n-octanol

[mg]

buffer pH 7

[mg]

Total

[mg]

1:1

 

 

1:2

 

 

2:1

< 0.00350

< 0.00352

 

< 0.00234

< 0.00237

 

< 0.00465

< 0.00475

4.10

4.18

 

4.08

4.32

 

3.98

4.01

4.10

4.18

 

4.09

4.33

 

3.99

4.02

100

102

 

99

105

 

97

98

Applicant's summary and conclusion

Conclusions:
The shake flask method was applied for the determination of the partition coefficient (Pow) of E-BW102. The Pow value of the test substance at neutral pH and 20°C was < 5.84 10^-4, which corresponds with a log Pow value of < -3.2.

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