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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental Starting Date: 21 April 2015 Experimental Completion Date: 08 June 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
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. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.25
Temp.:
30 °C
Remarks on result:
other: Pow = 1790

Results

Preliminary Estimate

Estimated log10Pow:   3.24

 

The full KOWWIN calculation is presented in Appendix 2 - (Attachment 2 of this Summary).

Main Test

Please see Attachment 3 for the Typical Chromatography.

Calibration

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

 

Table 3.10

 

Dead Time

Retention Time (min)

Mean Retention Time (min)

Injection 1

Injection 2

Thiourea

1.589

1.589

1.589

 


Table 3.11

 

Standard

Retention Time (min)

Mean Retention Time (min)

Capacity Factor (k')

Log10k'

Log10Pow

Injection 1

Injection 2

Benzyl alcohol

1.910

1.910

1.910

0.202

-0.695

1.1

Benzene

2.707

2.707

2.707

0.703

-0.153

2.1

Toluene

3.411

3.411

3.411

1.147

5.95 x 10-2

2.7

Naphthalene

4.096

4.096

4.096

1.578

0.198

3.6

Phenanthrene

7.255

7.250

7.252

3.564

0.552

4.5

Triphenylamine

15.705

15.666

15.685

8.872

0.948

5.7

Partition coefficient of the sample

The retention times, capacity factors and log Powvalues determined for the sample are shown in the following table:

 

Table 3.12

 

Injection

Retention Time (min)

Capacity Factor (k')

Log10k'

Log10Pow

1

3.790

1.39

0.142

3.25

2

3.785

1.38

0.141

3.25

 

Mean log10Pow:          3.25
Partition coefficient:  1.79 x 103

Conclusions:
Please see the Conclusion within the Executive Summary Section below.
Executive summary:

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

 

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 1.79 x 103, log10Pow 3.25.

Description of key information

The log Kow of the substance has been determined to be 3.25. The Kow is 1.79E03.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.25

Additional information