Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 14 March 2017 to 21 July 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report Date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
other: EU method A.24 (Partition coefficient (n-octanol / water), HPLC method)
Version / remarks:
2016
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Test material form:
solid: particulate/powder
Details on test material:
- Appearance: Pink powder
- Storage conditions: At room temperature

Study design

Analytical method:
other: UPLC

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
4.1
Temp.:
20 °C
Remarks on result:
other: Mean RT= 2.5 min. Peak area= 2.8%. Unbuffered mobile phase.
Key result
Type:
log Pow
Partition coefficient:
5.7
Temp.:
20 °C
Remarks on result:
other: Mean RT= 7.3 min. Peak area= 97%. Unbuffered mobile phase.
Details on results:
- Retention times of reference substances used for calibration: see table below;
- Details of fitted regression line: log k' = 0.331 x log Pow – 0.810 (r = 0.994, n=16);
- Graph of regression line and chromatograms: see attachment;
- The chromatogram of the test item showed one major peak and one small test item peak;
- The log Pow for the major peak was reported as the log Pow of the substance.
- Average retention data for test item: see table below;
- The value of log Pow obtained from duplicate measurements was within ± 0.1 log units.

Any other information on results incl. tables

Table: Results Partition coefficient n-octanol-water (HPLC method)

 

Substance

RT1
[min]

RT2
[min]

RTmean
(n=2)

log Pow

Pow

Area
%

 

 

 

 

 

 

 

Formamide (t0)

0.558

0.556

0.557

 

 

 

 

 

 

 

 

 

 

Benzylalcohol

0.725

0.720

 

1.1

 

 

Nitrobenzene

0.893

0.888

 

1.9

 

 

Toluene

1.418

1.412

 

2.7

 

 

1,4-Dichlorobenzene

1.829

1.823

 

3.4

 

 

Biphenyl

2.452

2.444

 

4.0

 

 

Dibenzyl

4.067

4.060

 

4.8

 

 

Triphenylamine

7.437

7.433

 

5.7

 

 

4,4’-DDT

10.631

10.627

 

6.5

 

 

 

 

 

 

 

 

 

Test item – peak 1

2.539

2.526

2.533

4.1

1.3 E4

2.8

Test item – peak 2

7.315

7.214

7.265

5.7

5.2 E5

97

 

 

 

 

 

 

 

Remark: the log Pow values of the reference substances are according to OECD TG 117.

Applicant's summary and conclusion

Conclusions:
The log Pow of the substance is 5.7 (at neutral pH).
Executive summary:

The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.24, OECD 117 and OPPTS 830.7570. Formamide was used as unretained substance. Duplicate injections of unretained substance, reference substances and test item in an UPLC system. The mobile phase was 75/25 (v/v) methanol/water and the wavelength of detection was 210 nm. The chromatogram of the test item showed one major (97%) and one small (3%) test item peak with corrresponding log Pow values of 5.7 and 4.1, resp. From this it was concluded that the log Pow of the substance is 5.7 (at neutral pH).