2(1H)-Naphthalenone, 3,4-dihydro-5-methoxy-

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

August 31, 2005 - October 22, 2005

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2005

Report date:

2005

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

March 30, 1989

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Version / remarks:

December 1992

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:

-

EC Number:

457-080-9

EC Name:

-

Cas Number:

32940-15-1

Molecular formula:

C11H12O2

IUPAC Name:

5-methoxy-1,2,3,4-tetrahydronaphthalen-2-one

Test material form:

solid: compact

Details on test material:

- Description: White-yellowish solid

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

1.8

Temp.:

25 °C

Remarks on result:

other: Unbuffered mobile phase

Details on results:

- Mean retention times of reference substances used for calibration (in minutes): see table below;
- Details of fitted regression line: log k' = 0.404 x log Pow – 0.326 (r = 0.991, n=6);
- The chromatogram of the test item showed one substance peak;
- Retention data for test item (in minutes): see table below;
- The value of log Pow obtained from the measurements was within ± 0.1 log units;
- In the blanks, no test/reference item was detected.

Any other information on results incl. tables

 

	1st run	2nd run	3rd run	4th run	5th run	6th run	Mean	Log Pow
Thiourea	1.727	1.727					1.73
2-Butanone	2.888	2.894	2.892	2.894	2.895	2.893	2.89	0.3
Acetophenone	4.915	4.924	4.922	4.924	4.929	4.922	4.92	1.7
Nitrobenzene	6.434	6.443	6.443	6.448	6.449	6.441	6.44	1.9
Anisole	7.748	7.756	7.755	7.763	7.761	7.755	7.76	2.1
Toluol	12.927	12.934	12.939	12.954	12.946	12.950	12.94	2.7
Bromobenzene	14.810	14.818	14.825	14.844	14.830	14.838	14.83	3.0
Test item	5.950	5.943	5.950

- The log Pow values of the reference substances are according to OECD TG 117.

- Log Pow results for the test item: 1.769, 1.767 and 1.769 for 1st, 2nd and 3rd run, resp.

Applicant's summary and conclusion

Conclusions:

The log Pow of the substance is 1.8.

Executive summary:

The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8 and OECD 117. Thiourea was used as unretained substance. The test item solution was injected three times. Mean retention times of 6 reference substances used for calibration were determined based on 6 injections of the reference item solution. The mobile phase was 50/50 (v/v) acetonitrile/water and the wavelength of detection was 210 nm for the test item and 200 nm for the other substances. The chromatogram of the test item solution showed one peak. The corresponding log Pow was determined to be 1.8.