Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 28 Aug 2017 to 22 Sep 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report Date:
2018

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
Type:
Constituent
Test material form:
liquid
Details on test material:
Physical appearance: colourless to pale yellow liquid
Storage conditions: at room temperature protected from light, container flushed with nitrogen.

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
3.4
Temp.:
35 °C
Remarks on result:
other: 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 – 0.828 (r = 0.9947, n= 16);
- Graph of regression line and chromatograms: see attachment;
- The chromatogram of the test item showed one major substance 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

Retention time (min)

log Pow

Pow

RT1

RT2

mean

Formamide (t0)

0.605

0.609

0.607

 

 

Benzylalcohol

0.782

0.779

 

1.1

 

Nitrobenzene

0.958

0.955

 

1.9

 

Toluene

1.509

1.503

 

2.7

 

1,4-Dichlorobenzene

1.946

1.936

 

3.4

 

Biphenyl

2.600

2.583

 

4.0

 

Dibenzyl

4.293

4.263

 

4.8

 

Triphenylamine

7.829

7.788

 

5.7

 

4,4’-DDT

11.323

11.270

 

6.5

 

Test item

1.828

1.830

1.829

3.4

2.6E3

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 3.4.

Executive summary:

The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8, 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 peak. The coresponding log Pow value was determined to be 3.4 (Pow= 2.6E3).