Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Testing was conducted between 26 October 2009 and 19 November 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 the relevant results.

Data source

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

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
Date of inspection: 19-08-2008 Date of Signature: 04-09-2009
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
Sponsor's identification: DMH
Description: white crystalline solid
Batch number: N5439431
Date received: 24 February 2006
Storage conditions: room temperature in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.475
Temp.:
22.4 °C
pH:
6.6
Details on results:
The partition coefficient of the test material has been determined to be 0.335, log10 Pow, -0.475.

Any other information on results incl. tables

Results

 Preliminary estimate

Approximate solubility in n-octanol:         3.72 x 10-2 g/l
Approximate solubility in water:               50.4 g/l
Approximate Pow:                                        7.39 x 10-4
Log10Pow:                                                      -3.13

Definitive test

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

Table 9.2– Organic Phase

Solution

MeanArea

Standard 10.1 mg/l

111.557

Standard 10.1 mg/l

114.344

Organic phase matrix blank

0.000

Sample 1

103.164

Sample 2

104.573

Sample 3

166.499

Sample 4

180.580

Sample 5

148.527

Sample 6

145.558

Table 9.3– Aqueous Phase

Solution

MeanArea

Standard 100 mg/l

1.062 x 103

Standard 101 mg/l

1.059 x 103

Aqueous phase matrix blank

0.000

Sample 1

658.866

Sample 2

667.413

Sample 3

908.860

Sample 4

931.595

Sample 5

779.151

Sample 6

790.433

Stock solution A

1.069 x 103

Stock solution B

1.070 x 103

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

Table 9.4

Sample Number

Total Weight (mg)*

Organic Phase

Aqueous Phase

Analysed Concentration (mg/l)

Weight (mg)†

Analysed Concentration (mg/l)

Weight (mg)†

pH

1

45.6

184

16.6

625

28.1

7.0

2

45.6

187

16.8

633

28.5

6.8

3

93.3

297

13.7

861

79.3

7.0

4

93.3

323

14.8

883

81.2

6.8

5

65.9

265

17.2

739

48.0

6.9

6

65.9

260

16.9

749

48.7

6.8

pH of n-octanol saturated water:   6.7
pH of stock solution:                        6.6
Temperature:                                   22.4 ± 0.5°C

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

Table 9.5

Sample Number

Organic/Aqueous Volume Ratio

Partition Coefficient

Log10Pow

Mean Partition Coefficient

1

2:1

0.295

-0.530

0.295

2

0.295

-0.530

3

1:2

0.345

-0.462

0.355

4

0.365

-0.437

5

1:1

0.359

-0.445

0.353

6

0.347

-0.460

Mean Pow : 0.335    log10Pow: -0.475     Powstandard deviation : 3.14 x 10-2

Validation

Linearities of the detector response with respect to concentration were assessed over the nominal concentration range of 0 to 200 mg/l for the aqueous and organic phases. These were satisfactory with correlation coefficients of 1.000 being obtained.

*From analysis of the stock solution

†From analysis of the respective phase

Applicant's summary and conclusion

Conclusions:
Conclusion
The partition coefficient of the test material has been determined to be 0.335, log10 Pow, -0.475.
Executive summary:

Method

The determination was carried out using the shake-flaskthod, Method A8 Partition Coefficient ofCommissionRegulation (EC) No 440/2008 of 30 May 2008.

Conclusion

The partition coefficient of the test material has been determined to be 0.335, log10Pow, -0.475.