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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From March 05, 2010 to May 28, 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
slow-stirring method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
ca. 4.8
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: Average
Key result
Type:
Pow
Partition coefficient:
ca. 64 000
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: Average
Details on results:
None

Results

Calculated log Pow values in preliminary test

Time

Log Pow

(hrs)

C22

C24

C26

C28

24

3.9

4.9

5.9

6.0

43

4.8

6.8 (*)

6.3

6.0

48

4.2

5.0

5.8

6.1

67

4.1

4.9

5.6

5.1

72

4.7

5.1

5.6

5.2

140

3.8

4.7

5.1

5.5

145

4.0

4.6

5.1

5.7

Mean

4.2

4.9

5.6

5.7

St. dev.

0.4

0.2

0.4

0.4

(*) defined as outlier acc. to Grubb’s (8.3)

Detailed results of conc. in different phases for multiple components of test substance

 

Concentration test substance

 

C22

C24

C26

C28

Time

Octanol

Water

Octanol

Water

Octanol

Water

Octanol

Water

(hrs)

µg/L

µg/L

µg/L

µg/L

µg/L

µg/L

µg/L

µg/L

24

3216272

410.9

3120944

35.5

3372860

4.7

3700860

3.7

43

2910208

42.6

2960500

0.5

3223441

1.5

3789309

3.5

48

4414256

264.3

4764435

44.2

5749922

8.7

8695731

7.1

67

2998441

215.3

3422600

41.5

4092150

10.5

5325764

39.0

72

3730102

77.5

4277718

36.2

5668420

13.8

8476754

48.4

140

2668338

384.6

2719240

59.9

2900646

22.1

4640476

14.4

145

2564174

286.6

2603065

61.4

2898958

23.2

5639192

10.3

Definitive test results (C-24)

Replicate

Octanol conc.

µg/L

Water conc.

µg/L

Pow

Log Pow

A

4035456

72.8

5.5E+04

4.7

B

4446954

69.1

6.4E+04

4.8

C

4511610

61.8

7.3E+04

4.9

Average

6.4E+04

4.8

Conclusions:
Under the study conditions, the Kow and log Kow values of the test substance were determined to be 64000 and 4.8 respectively.
Executive summary:

A study was conducted to determine the partition coefficient of the test substance, C12 -18 DAQ (99.6% active), according to the OECD guideline 123, using the slow-stirring method, in compliance with GLP. The definitive test was performed in a 1 -octanol-saturated water system during the equilibration period as determined in the preliminary test. The definitive test was performed in triplicate. The pH value at the start of the test was adjusted to 7 and was also measured at the end of the test. Analysis of the test substance in both phases was performed using an appropriate analytical method using HPLC. Under the study conditions, the Kow and log Kow values of the test substance were determined to be 64000 and 4.8 respectively (Vos, 2010).

Description of key information

The partition coefficient of the test substance was determined using the slow-stirring method, according to OECD Guideline 123 (Vos, 2010).

Key value for chemical safety assessment

Log Kow (Log Pow):
4.8
at the temperature of:
20 °C

Additional information