Registration Dossier

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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
March 30, 1989
Deviations:
no
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

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
457-080-9
EC Name:
-
Cas Number:
32940-15-1
Molecular formula:
C11H12O2
IUPAC Name:
5-Methoxy-3,4-dihydro-1H-naphthalen-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.