Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2001
Report Date:
2001

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
ca. 3 400
Temp.:
25 °C
pH:
>= 7.66 - <= 7.97
Type:
log Pow
Partition coefficient:
ca. 3.5
Temp.:
25 °C
pH:
>= 7.66 - <= 7.97
Details on results:
Results and experimental Data refer to Table 1.

Any other information on results incl. tables

 Table 1:

Test Mixture

P1

P2

P3

P4

P5

P6

Amount of CA2218

(mg)

65.2720

64.3765

130.5440

130.2455

32.9345

32.3375

Volume of Octanol

(ml)

20.0

20.0

40.0

40.0

10.0

10.0

Volume of Water

(ml)

20.0

20.0

20.0

20.0

20.0

20.0

Concentration of CA2218in the Octanol Phase

(g/l)

 

Average

3.264

3.274

 

 

 

3.269

3.209

3.183

 

 

 

3.196

3.278

3.311

 

 

 

3.295

3.277

3.247

 

 

 

3.262

3.332

3.328

 

 

 

3.330

3.319

3.320

 

 

 

3.320

Concentration of CA2218 in the Aqueous Phase

(mg/ml)

 

Average

0.946

0.961

 

 

 

0.954

0.941

0.936

 

 

 

0.939

 0.990

0.976

 

 

0.983

0.937

0.933

 

 

 

0.935

0.942

0.935

 

 

 

0.939

0.994

0.985

 

 

 

0.990

pH of the aqueous phase

7.66

7.74

7.90

7.97

7.78

7.97

Amount of CA2218 in the Octanol Phase

(mg)

65..3800

63.9200

131.8000

130.4800

33.3000

33.2000

Amount of CA2218 in the Aqueous Phase

(mg)

0.0191

0.0188

0.0197

0.0187

0.0188

0.0198

Total Amount of CA2218 in the two Phases

(mg)

65.3991

63.9388

131.8000

130.4987

33.3188

33.2198

Recovery

(%)

100

99.3

101

100

101

103

Pow

3427

3404

3352

3489

3546

3354

 

Average Powfor each volume ratio

3416

3421

3550

 

Average Pow±Standard Deviation

3400± 77

 

Logarithm to base 10 of Pow

3.5

 

The result of the total average, it’s logarithm to base 10 and the standard and the standard deviation have been quoted correct to two significant figures. 

 

Applicant's summary and conclusion

Conclusions:
The octanol/water partition coefficient of CA 2218 has been determined as:
Pow = 3400 (± 77) log Pow = 3.5 at 25 °C
Executive summary:

The octanol/water partition coefficient of CA 2218 has been determined using the shake flask method. 

 

This study was performed in accordance with the OECD guideline for the testing of chemicals number 107, 1995, the EEC method A.8., Official Journal of the European Communities 92/69/EEC, 1992 and the Product Properties Test Guideline, OPPTS 830.7550, USA, 1996.

 

The octanol/water partition coefficient (Pow) and its logarithm to base 10 (log Pow) were determined to be:

Pow= 3400(± 77)                         log Pow= 3.5 at 25 °C

 

Log Pow is the logarithm to base 10 of the octanol/water partition coefficient. 

 

The figure in parentheses represents one standard deviation about the mean value and all values have been quoted correct to two significant figures.