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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:
2009-10-20 to 2010-02-05
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP study conducted to current guidelines.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
In compliance with UK GLP standards (Schedule 1, Good Laboratory Practice Regulations 1999 (SI 1999/3106 as amended by SI 2004/0994)).
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
-3.87
Temp.:
22.5 °C
pH:
7
Type:
Pow
Partition coefficient:
0
Temp.:
22.5 °C
pH:
7
Details on results:
Preliminary estimate:
Approximate solubility in n-octanol: <1.07 x 10-2 g/L
Approximate solubility in water: >1.56 g/L
Approximate Pow: <6.84 x 10-3
Approximate Log10Pow: <-2.17
Definitive test:
Mean Pow: 1.34 x 10 -4
log10Pow: -3.87 Pow
standard deviation : 3.06 x 10 -5

Definitive test results

The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:

Table 3: Organic Phase

Solution

MeanArea

Standard 21.4 mg/l

61.973

Standard 21.1 mg/l

60.446

Matrix blank

none detected

Sample 1

2.954

Sample 2

3.048

Sample 3

3.654

Sample 4

3.326

Sample 5

4.372

Sample 6

5.304

Table 4: Aqueous Phase

Solution

MeanArea

Standard 214 mg/l

603.407

Standard 211 mg/l

584.841

Matrix blank

none detected

Sample 1

538.535

Sample 2

541.638

Sample 3

549.436

Sample 4

549.135

Sample 5

552.837

Sample 6

555.197

Stock solution A

536.324

Stock solution B

534.494

Table 5: Total weight (mg) and analysed concentration (mg/L) of the respective phases

Sample Number

Total Weight (mg)

Organic Phase

Aqueous Phase

Analysed Concentration (mg/L)

Weight (mg)

Analysed Concentration (mg/L)

Weight (mg)

pH

1

201

0.205

4.31 x 10-2

1.93 x 103

202

6.7

2

201

0.212

4.45 x 10-2

1.94 x 103

203

6.4

3

124

0.254

6.60 x 10-2

1.97 x 103

128

6.7

4

124

0.231

6.01 x 10-2

1.96 x 103

128

6.4

5

82.4

0.304

0.104

1.98 x 103

85.0

6.7

6

82.4

0.368

0.127

1.99 x 103

85.4

6.5

* From analysis of the stock solution

† From analysis of the respective phase

pH of n-octanol saturated water: 7.0
pH of stock solution: 7.0
Temperature: 22.5 ± 0.5°C

Table 6: Determination of the partition coefficient for each sample

Sample Number

Partition Coefficient

Log10Pow

Mean Partition Coefficient

1

1.07 x 10-4

-3.97

1.08 x 10-4

2

1.09 x 10-4

-3.96

3

1.29 x 10-4

-3.89

1.23 x 10-4

4

1.18 x 10-4

-3.93

5

1.54 x 10-4

-3.81

1.70 x 10-4

6

1.85 x 10-4

-3.73
Conclusions:
The partition coefficient of the test material has been determined to be 1.34 x 10-4 at 22.5 ± 0.5°C, log10 Pow, -3.87.

Description of key information

The partition coefficient of 6-aminopenicillanic acid was determined using the EU method A8 in the study by Fox and White 2010

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.87
at the temperature of:
22.5 °C

Additional information