Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental Starting Date: 17 May 2012, Experimental Completion Date: 03 July 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
0.491
Temp.:
30 °C
Remarks on result:
other: The partition coefficient of the test item has been determined to be 3.10, log10 Pow 0.491.

Results

Preliminary estimate

The log10Powwas calculated to be:    1.11
The full KOWWIN calculation is presented in Appendix 2 - Attachment 2 (attached background material)

Definitive test

Please see Attachment 3 (attached background material) for the Typical Chromatography.

Calibration

The retention times of the dead time and the retention times, capacity factors (k') and log10Pow values for the reference standards are shown in the following tables:

 

Table 3.18

 

Dead Time

Retention Time (mins)

Mean Retention Time (mins)

Injection 1

Injection 2

Thiourea

1.867

1.867

1.867

 

Table 3.19

 

Standard

Retention Time (mins)

Mean Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Injection 1

Injection 2

2-Butanone

2.447

2.447

2.447

0.311

-0.508

0.3

Benzene

2.973

2.980

2.977

0.595

-0.226

1.1

Naphthalene

3.873

3.880

3.877

1.077

3.21 x 10-2

1.6

Phenanthrene

6.250

6.270

6.260

2.354

0.372

2.1

Triphenylamine

10.013

10.053

10.033

4.375

0.641

2.7

DDT

18.200

18.263

18.232

8.767

0.943

3.6

Partition coefficient of sample

The retention times, capacity factor and log10Pow value determined for the sample are shown in the following table:

 

Table 3.20

 

Injection

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

1

2.540

0.361

-0.443

0.491

2

2.540

0.361

-0.443

0.491

 

Mean log10Pow:                     0.491
Partition coefficient:             3.10

 

Conclusions:
The partition coefficient of the test item has been determined to be 3.10, log10 Pow 0.491.
Executive summary:

Partition Coefficient

Method

The determination was carried out using the HPLC Method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004 and Method 830.7570 of the OPPTS Guidelines.

 

The test system consisted of a high performance liquid chromatograph with a suitable detector (UV/). A reverse phase HPLC column with a very low percentage of polar groups was used (e.g. C8, C18). The mobile phase contained at least 25% aqueous phase.

Conclusion

The partition coefficient of the test item has been determined to be 3.10, log10Pow 0.491.

Description of key information

The partition coefficient of the test item has been determined to be 3.10, log10 Pow 0.491.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.491
at the temperature of:
30 °C

Additional information

The determination was carried out using the HPLC Method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004 and Method 830.7570 of the OPPTS Guidelines.

 

The test item had no dissociation constants within the environmentally relevant pH range.

The partition coefficient of the test item has been determined to be 3.10, log10Pow 0.491.