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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
08 January 2009 to 26 February 2009
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 relevant results.

Data source

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

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes (incl. QA statement)
Remarks:
Date of inspection: 19 August 2008; Date of signature: 04 March 2009
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-3.51
Temp.:
21 °C
pH:
> 0

Any other information on results incl. tables

Preliminary estimate

Approximate solubility in n-octanol: < 7.50 x 10-3 g/l
Approximate solubility in water: > 112 g/l
Approximate Pow: < 6.71 x 10-5 Log10Pow: < -4.17

Definitive test

The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:

Table 2– Organic Phase

Solution

Mean peak area*

Standard 51.9 mg/l

1.379 x 103

Standard 50.4 mg/l

1.370 x 103

Sample 1

40.759

Sample 2

36.615

Sample 3

56.236

Sample 4

49.958

Sample 5

40.047

Sample 6

38.989

*corrected for organic phase matrix blank

Table 3– Aqueous Phase

Solution

Mean peak area

Standard 483 mg/l

1.250 x 104

Standard 488 mg/l

1.274 x 104

Sample 1

1.338 x 104

Sample 2

1.325 x 104

Sample 3

1.362 x 104

Sample 4

1.373 x 104

Sample 5

1.411 x 104

Sample 6

1.394 x 104

Stock solution A

1.292 x 104

Stock solution B

1.296 x 104

The total weights (mg) and analysed concentration (mg/l) of the respective phases are shown in the following table:

Table 4

Sample Number

Total Weight (mg)*

Organic Phase

Aqueous Phase

Analysed Concentration (mg/l)

Weight (mg)†

Analysed Concentration (mg/l)

Weight (mg)†

pH

1

274

1.52

0.417

5.15 x 103

283

6.1

2

274

1.36

0.374

5.10 x 103

280

6.1

3

149

2.09

0.627

5.24 x 103

157

6.1

4

149

1.86

0.557

5.28 x 103

158

6.1

5

99.6

1.49

0.596

5.43 x 103

109

6.1

6

94.6

1.45

0.551

5.36 x 103

102

6.1

*From analysis of the stock solution

†From analysis of the respective phase

pH of n-octanol saturated water:    7.0
pH of stock solution:            5.8
Temperature:                        21.0 ± 0.5°C

The partition coefficient determined for each sample is shown in the following table:

Table 5

Sample Number

Organic/Aqueous Volume Ratio

Partition Coefficient

Log10Pow

Mean Partition Coefficient

1

5:1

2.95 x 10-4

-3.53

2.81 x 10-4

2

2.67 x 10-4

-3.57

3

10:1

3.99 x 10-4

-3.40

3.76 x 10-4

4

3.52 x 10-4

-3.45

5

20:1

2.74 x 10-4

-3.56

2.72 x 10-4

6

2.70 x 10-4

-3.57

Mean Pow: 3.10 x 10-4         log10Pow: -3.51        Powstandard deviation : 5.41 x 10-5

Validation

Organic phases:The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 100 mg/l. This was satisfactory with a correlation coefficient of 1.000 being obtained.

Aqueous phases:The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 1.00 x 103mg/l. This was satisfactory with a correlation coefficient of 1.000 being obtained.

The definitive test results indicated that virtually all of the test material remained in the aqueous phases, and all of the test material used in the samples was fully recovered. Thus, it was decided that recovery of analysis for the organic phase extraction procedure was not required.

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test material has been determined to be 3.10 x 104 at 21.0 ± 0.5°C, log10 Pow -3.51.
Executive summary:

3.10 x 10-4 at 21.0 ± 0.5°C, log10Pow-3.51, using the shake-flask method, Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008.