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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
Study period:
15 Sep 1998 to 14 Dec 1998
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)
Version / remarks:
1995
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
1992
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
1996
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.1
Temp.:
25 °C
pH:
7.2
Type:
Pow
Partition coefficient:
1 200
Temp.:
25 °C
pH:
7.2

RESULTS

Table 1 Experimental data

Test Mixture

P1

P2

P3

P4

PS

P6

Amount of Substance / mg

53.9377

56.0314

104.6850

111.6640

25.9220

26.0217

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 test substance in the Octanol Phase / g/L

2.717

2.711

2·898
2·904

2.690
2.692

2.856
2·861

2.748
2.742

2.693
2·.694

Average Concentration

2.714

2·901

2.691

2.859

2.745

2.694

Concentration of test substance the Aqueous Phase / mg/L

2.390
2.289

2.259
2.155

2·015
2·186

2.275
2.342

2.120
2.381

2.255
2.359

Average Concentration

2.34

2.207

2·101

2.309

2·251

2.307

pH of Aqueous Phase

7.16

7.20

7.17

7.24

7.12

7.09

Average pH of Aqueous Phase

7.2

Amount of test substance
in the Octanol Phase / mg

54.2800

58.0200

107.6400

114.3600

27.4500

26.9400

Amount of test substance
in the Aqueous Phase / mg

0.0468

0·0441

0.0420

0.0462

0.0450

0.0461

Total Amount of substance in the two Phases / mg

54.3268

58.0641

107.682

114.4062

27.495

26.9861

Recovery / %

101

104

103

102

106

104

Pow

1159.8

1314·5

1280.8

1238·2

1219.5

1167.8

Average Pow
for each volume ratio

1237.2

1259.5

1193.7

Average Pow ±
Standard Deviation

1230.1 ± 61.1

Logarithm to base 10 of Pow

3.09
Conclusions:
The octanol-water partition coefficient (Log Pow) of the test substance at 25 °C was determined to be 3.1.
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 pH 7.2 and 25 °C, the octanol-water partition coefficient of test substance was determined to be 3.1.

Description of key information

Log Pow = 3.1 at 25 °C, OECD TG 107, shake flask method, Stulz 1998.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.1
at the temperature of:
25 °C

Additional information