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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
Pow
Partition coefficient:
11 600
Temp.:
25 °C
Remarks on result:
other: no pH has been reported
Key result
Type:
log Pow
Partition coefficient:
4.07
Temp.:
25 °C
Remarks on result:
other: no pH has been reported

RESULTS

Table 1 Experimental data

sample number

1

2

3

4

5

6

amount of test substance/ mg

24.7008

24.7008

49.2032

50.6912

12.3008

12.2016

volume of octanol /mL

10

10

20

20

5

5

volume of water /mL

50

50

50

50

50

50

concentration of the substance in the octanol phase/ (mg/L)

2508.19

2461.19

2462.15

2512.5

2512.269 

2460.61

average of 3 values

2513.23

2459.98

2460.9

2519.14

2514.03

2465.95

 

2513.36

2463.32

2447.372 

2520.33

2512.56

2466.78

 

2511.6

2461.5

2456.8

2517.3

2513

2464.4

concentration of the substance in the aqueous phase/ (mg/L)

218.795

210.538

210.661

212.597

218.213

210.279

average of 3 values

220.816

211.003

210.368

212.458

217.56

210.013

 

219.908

211.059

209.913

215.689

218.653

211.549

 

219.8

210.9

210.3

213.6

218.1

210.6

amount of substance in octanol phase / mg

25.116

24.615

49.136

50.346

12.565

12.322

amount of substance in water phase / mg

0.011

0.011

0.011

0.011

0.011

0.011

total recovered amount of substance / mg

25.127

24.626

49.147

50.357

12.576

12.333

recovery / %

102

100

100

99

102

101

Pow

11427

11671

11682

11785

11522

11702

average Pow

11549

11734

11612

average Pow ± SD

11632 ± (131)

average log Pow ± SD

4.07 ±0.005

 

Conclusions:
The octanol-water partition coefficient (Log Pow) of the test substance at 25 °C was 4.07 and the Pow 11600 at 25 °C .
Executive summary:

The octanol-water partition coefficient (Log Pow) of the test substance was conducted in accordance with OECD TG 107 and in compliance with GLP. At 25 °C, the octanol-water partition coefficient of test substance was determined to be 4.07 and the Pow 11600.

Description of key information

Log Pow = 4.07 at 25 °C, OECD TG 107, shake flask method, Rodler 1992.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.07
at the temperature of:
25 °C

Additional information