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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
Justification for type of information:
Data is from experimental study report.
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Principles of method if other than guideline:
- Principle of test:The Nernst partition law applies at constant temperature, pressure and pH for dilute solutions. It strictly applies to a pure substance dispersed between two pure solvents and when the concentration of the solute in either phase is not more than 0.01 mol/l.
A stock solution of the test substance is shaken in a two-phase system of water and n-octanol. The concentration of the test substance in the two phases is analysed with an appropriate analytical method.
GLP compliance:
not specified
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Test substance (as cited in the study report): 2-chloro-1,4-diamino benzene
- Batch No.of test material:10-05-18/ 44
- Expiration date of the lot/batch: No data
- Purity: 99.8% (100% - 0.2% water)
- Appearance: Dark grey flakes
Analytical method:
other: UV/VIS Spectroscopy
Key result
Type:
log Pow
Partition coefficient:
0.44
Temp.:
20 °C
Remarks on result:
other: Hydrophilic in nature.

Result in detail:

Determination no.

Stock solution (ml)

n-octanol

Test substance conc. in water phase (mg/L)

Test substance conc. in n-octanol phase (mg/L)

Log Pow

A1

5

10

117.3

315.3

0.43

A2

5

10

115.7

327.1

0.45

B1

10

10

197.3

547.3

0.44

B2

10

10

196.1

545.5

0.44

C1

20

10

305.0

852.0

0.45

C2

20

10

308.1

851.0

0.44

Mean

--

--

--

--

0.44

 

Recovery rate of test substance:

Determination no.

Test substance in stock solution (mg)

Test substance in water phase (mg)

Test substance in n-octanol phase (mg)

Sum (mg)

Recovery rate [%]

A1

3.71

0.59

3.15

3.74

101

A2

3.71

0.58

3.27

3.85

104

B1

7.42

1.97

5.47

7.45

100

B2

7.42

1.96

5.46

7.42

100

C1

14.82

6.10

8.52

14.62

99

C2

14.82

6.16

8.51

14.67

99

Conclusions:
The partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined according to the OECD Guideline for the testing of chemicals 107. The octanol-water partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined to be 0.44 at 20 -25 degC. This value indicates that the substance 2-chloro-p-phenylenediamine is hydrophilic in nature which is also supported by its solubility in water.
Executive summary:

The partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined according to the OECD Guideline for the testing of chemicals 107.

Result:

Determination No.

Ratio n-octanol : water

Log Pow

A1

2:1

0.43

A2

2:1

0.45

B1

1:1

0.44

B2

1:1

0.44

C1

1:2

0.45

C2

1:2

0.44

Mean

---

0.44

The octanol-water partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined to be 0.44 at 20 -25 degC. This value indicates that the substance 2-chloro-p-phenylenediamine is hydrophilic in nature which is also supported by its solubility in water.

Description of key information

The partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined according to the OECD Guideline for the testing of chemicals 107.

Result:

Determination No.

Ratio n-octanol : water

Log Pow

A1

2:1

0.43

A2

2:1

0.45

B1

1:1

0.44

B2

1:1

0.44

C1

1:2

0.45

C2

1:2

0.44

Mean

---

0.44

The octanol-water partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined to be 0.44 at 20 -25 degC. This value indicates that the substance 2-chloro-p-phenylenediamine is hydrophilic in nature which is also supported by its solubility in water.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.44
at the temperature of:
20 °C

Additional information

The partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined according to the OECD Guideline for the testing of chemicals 107. The octanol-water partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined to be 0.44 at 20-25 degC.

 

Based on the supporting study from predictive models, the octanol-water partition coefficient (log Pow) of 2-chloro-p-phenylenediamine was estimated by KOWWIN Program (v1.68) of EPI suite. The octanol-water partition coefficient (log Kow) of 2-chloro-p-phenylenediamine was estimated to be 0.25 at 25 degC.

Based on the experimental and estimated values, the substance 2-chloro-p-phenylenediamine can be considered as hydrophilic in nature which is also supported by its solubility in water.

 

As the data from the experimental study has K1 reliability and the test was performed using OECD guidelines which has the value of Log Pow as 0.44 at 20-25°C, indicating that 2-chloro-p-phenylenediamine is hydrophilic in nature., thus considered as key study for the chemical safety assessment.