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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
27 November 1992 to 1st October 1993
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1993
Report date:
1993

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.37
Temp.:
22 °C
pH:
ca. 7
Details on results:
Evaluation of the linearity of the method was performed over the range 0.5 - 5 mg/l (0.5, 1, 2, 2.5, 5 mg/l) for the n-octanol phase. 0.5 mg/l was established as the limit of quantitation for the n-octanol phase.
Evaluation of the linearity of the method was performed over the range 0.0005 - 0.005 mg/l (0.0005, 0.001, 0.002, 0.0025, 0.005 mg/l). Due to the low water solubility of the test article (0.0476 mg/l at 22 °C), the calibration curve and the results of the sample assays obtained for the water phase, were given with a poor accuracy. The limit of quantitation in the water phase was established at 0.0005 mg/l.

Any other information on results incl. tables

Determination of the Partition Coefficient

 

Sample

Sample

Volume water (ml)

Volume n-octanol (ml)

Volume stock solution (ml)

Conc. water phase (mg/ml)

pH water phase

Conc. n-octanol phase (mg/ml)

Partition coefficient

Mean

Mean

1

A

10

38

2

7.548x10-4

7.57

0.948

Pow= 1.256x103

Log Pow= 3.10

 

 

 

3.09

 

 

 

 

 

 

 

 

 

 

 

3.37

B

10

38

2

7.421x10-4

5.62

0.862

Pow= 1.162x103

Log Pow= 3.07

2

A

30

18

2

10-3

7.16

1.947

Pow= 1.947x103

Log Pow= 3.29

 

 

 

3.37

B

30

18

2

5.876x10-4

6.25

1.650

Pow= 2.808x103

Log Pow= 3.45

3

A

40

8

2

10-3

7.78

3.831

Pow= 3.831x103

Log Pow= 3.58

 

 

 

3.66

B

40

8

2

7.369x10-4

6.44

3.934

Pow= 5.339x103

Log Pow= 3.73

Applicant's summary and conclusion

Conclusions:
Under the experimental conditions described, the partition coefficient of the test article was determined to be:
log Pow = 3.37
Executive summary:

In a general partition coefficient study (66592), the partition coefficient was determined to be log Pow = 3.37, according to Method A8 of Commission Directive 92/69/EEC.