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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

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)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
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:
4.2
Temp.:
20 °C
pH:
>= 5 - <= 7
Details on results:
The log Kow of pure test substance at 20 °C is 3.9 in water buffered at pH 4 and 4.2 in purified water and water buffered at pH 5 and pH 7. Recoveries were in the range 91 % - 102 %. Test substance is a weak base (pl

Table1 Partition Coefficient - Purified Water

Replicate, ratio

C_OCT

% w/v

C_AQ

% w/v

Pow

Log Pow

Recovery

%

1, 1:1

0.302

1.98E-5

15200

4.18

99

2, 1:1

0.305

2.00E-5

15200

4.18

100

1, 1:4

0.293

2.01E-5

14600

4.16

96

2, 1:4

0.303

1.98E-5

15300

4.18

99

1, 2:3

0.304

1.97E-5

15400

4.19

100

2, 2:3

0.289

1.94E-5

14900

4.17

95

 

Mean [2 sig fig)

(Sr)

4.2

(0.25 %)

 

Table 2 Partition Coefficient - pH 4 Buffered Water

Replicate,

ratio

C_OCT

% w/v

C_AQ

% w/v

Pow

Log Pow

Recovery

%

1, 1:1

0.300

3.87E-5

7750

3.89

96

2, 1:1

0.306

3.87E-5

7910

3.90

98

1, 1:4

0.294

4.38E-5

6710

3.83

94

2, 1:4

0.308

4.44E-5

6940

3.84

99

1, 2:3

0.304

4.07E-5

7470

3.87

98

2, 2:3

0.306

3.97E-5

7710

3.89

98

 

Mean [2 sig fig)

(Sr)

3.9

(0.75 %)

 

Table 3 Partition Coefficient - pH 5 Buffered Water

Replicate, ratio

C_OCT

% w/v

C_AQ

% w/v

Pow

Log Pow

Recovery

%

1, 1:1

0.295

1.89E-5

15600

4.19

95

2, 1:1

0.312

1.88E-5

16600

4.22

100

1, 1:4

0.301

1.84E-5

16400

4.21

97

2, 1:4

0.298

1.86E-5

16000

4.20

96

1, 2:3

0.296

1.96E-5

15100

4.18

96

2, 2:3

0.299

1.92E-5

15600

4.19

97

 

Mean [2 sig fig)

(Sr)

4.2

(0.35 %)

 

Table 4 Partition Coefficient- pH 7 Buffered Water

Replicate, ratio

C_OCT

% w/v

C_AQ

% w/v

Pow

Log Pow

Recovery

%

1, 1:1

0.288

1.93E-5

14900

4.17

92

2, 1:1

0.283

1.89E-5

15000

4.18

91

1, 1:4

0.288

1.80E-5

16000

4.20

92

2, 1:4

0.317

1.87E-5

17000

4.23

102

1, 2:3

0.304

2.31E-5

13200

4.12

98

2, 2:3

0.317

1.79E-5

17700

4.25

102

 

Mean [2 sig fig)

(Sr)

4.2

(1.1 %)

 

Conclusions:
The purified test substance has a log Kow = 4.2 (in purified water and water buffered at pH 5 and pH 7) at 20 °C.
Executive summary:

The 1-octanol / water partition coefficient (Pow) of the test substance has been determined in a GLP-compliant study in accordance with the EU Method A.8. and OECD TG 107 by using the shake-flask method. The octanol·water partition coefficient (log Pow) of pure test substance at 20 °C was 3.9 in water buffered at pH 4, and 4.2 in purified water and water buffered at pH 5 and pH 7.

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
4.2
at the temperature of:
20 °C

Additional information