o-chlorobenzenethiol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Fom January 25th to February 19th, 2016.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Water solubility:

0.79 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

4.2 g/L

Incubation duration:

> 1 - < 3 d

Temp.:

20 °C

pH:

4

Key result

Water solubility:

2.4 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

4.1 g/L

Incubation duration:

> 1 - < 3 d

Temp.:

20 °C

pH:

7

Water solubility:

9.38 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

4.1 g/L

Incubation duration:

> 1 - < 3 d

Temp.:

20 °C

pH:

10

Table 4. Results of o-chlorobenzenethiol solubility in buffer solution at pH 4.0

Mixing timeat 30 ºC [days, flasks]	1		2		3
Samples	1	2	3	4	5	6
Temperature, ºC	20.1		19.9		19.9
pH	4.11	4.10	4.09	4.10	4.09	4.09
Concentration of o-chlorobenzenethiol, g/kg	0.76	0.77	0.78	0.77	0.81	0.81
Average concentration of o-chlorobenzenethiol,g/kg	0.77		0.78		0.81
Average concentration o-chlorobenzenethiol, g/kg	0.79

 

Table 5. Results o-chlorobenzenethiol solubility in buffer solution at p H 7.0

Mixing timeat 30 ºC [days, flasks]	1		2		3
Samples	1	2	3	4	5	6
Temperature, ºC	20.1		19.9		19.9
pH	6.86	6.87	6.88	6.87	6.88	6.86
Concentration of o-chlorobenzenethiol, g/kg	2.39	2.35	2.45	2.42	2.39	2.40
Average concentration of o-chlorobenzenethiol,g/kg	2.37		2.44		2.40
Average concentration o-chlorobenzenethiol, g/kg	2.40

 

Table 6. Results o-chlorobenzenethiol solubility in buffer solution at pH 10.0

Mixing timeat 30 ºC [days, flasks]	1		2		3
Samples	1	2	3	4	5	6
Temperature, ºC	20.1		19.9		19.9
pH	7.68	7.71	7.72	7.73	7.73	7.71
Concentration of o-chlorobenzenethiol, g/kg	9.39	9.39	9.26	9.38	9.37	9.48
Average concentration of o-chlorobenzenethiol,g/kg	9.39		9.32		9.43
Average concentration o-chlorobenzenethiol, g/kg	9.38

 

 

Conclusions:

The solubility of the test item at 20 ± 0.5 ºC in buffer solutions: at pH 4.0 is 0.79 g/L; at pH 7.0 is 2.40 g/L; and at pH 10.0 is 9.38 g/L.

Executive summary:

Determination of water solubility at three pH values, using shake flask method, was carried out according to the method OECD 105 / EU A.6, flask method (GLP study). The substance was dissolved in water at a temperature above the test temperature (30 ºC). When saturation was achieved, the mixture was cooled and kept at the test temperature (20 ºC). Subsequently, the mass concentration of the substance in the aqueous solution, which must not contain any undissolved particles, was determined after one, two and three days at pH 4.0, 7.0 and 10.0, by a suitable HPLC method. The solubility of the test item at 20 ± 0.5 ºC in buffer solutions: at pH 4.0 is 0.79 g/L; at pH 7.0 is 2.40 g/L; and at pH 10.0 is 9.38 g/L.

Description of key information

Key study. Method according to OECD 105 / EU A.6 (flask method), GLP study. The solubility of the test item at 20 ± 0.5 ºC in buffer solutions: at pH 4.0 is 0.79 g/L; at pH 7.0 is 2.40 g/L; and at pH 10.0 is 9.38 g/L.

Key value for chemical safety assessment

Water solubility:

2.4 g/L

at the temperature of:

20 °C

Additional information

Determination of water solubility at three pH values, using shake flask method, was carried out according to the method OECD 105 / EU A.6, flask method (GLP study). The substance was dissolved in water at a temperature above the test temperature (30 ºC). When saturation was achieved, the mixture was cooled and kept at the test temperature (20 ºC). Subsequently, the mass concentration of the substance in the aqueous solution, which must not contain any undissolved particles, was determined after one, two and three days at pH 4.0, 7.0 and 10.0, by a suitable HPLC method. The solubility of the test item at 20 ± 0.5 ºC in buffer solutions: at pH 4.0 is 0.79 g/L; at pH 7.0 is 2.40 g/L; and at pH 10.0 is 9.38 g/L.