2-chloro-p-phenylenediamine

Partition coefficient

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

Justification for type of information:

Data is from experimental study report.

Qualifier:

according to guideline

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.