1-(5,6,7,8-tetrahydro-2-naphthyl)ethan-1-one

Partition coefficient

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 guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

other: EU method A.24 (Partition coefficient (n-octanol / water), HPLC method)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

2004

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

1-(5,6,7,8-tetrahydro-2-naphthyl)ethan-1-one

EC Number:

212-266-7

EC Name:

1-(5,6,7,8-tetrahydro-2-naphthyl)ethan-1-one

Cas Number:

774-55-0

Molecular formula:

C12H14O

IUPAC Name:

1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one

Test material form:

liquid

Details on test material:

Appearance: Colourless to pale yellow liquid

Specific details on test material used for the study:

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).