1,2-Benzisothiazole, 3-methyl-, 1,1-dioxide

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016-12-12 to 2016-12-16

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

adopted July 27, 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

19 March 2014

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

March 1998

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

- Lot: 216-106
- Expiry date: 2018-06-16
- Storage conditions: Keep at room temperature

Key result

Water solubility:

0.116 g/L

Conc. based on:

test mat.

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 6.95 - <= 7.06

Details on results:

The repeatability of the determination was < 15 % and thus within the range required by the guidelines.

Sampling time	Measured concentration of test item (g/L )		Measured pH
	Test vessels	Mean with the 95% confidence intervals
After 24h	0.114	0.114 ± 0.001	7.06
	0.114		6.98
	0.115		6.97
After 48h	0.115	0.117 ± 0.005	6.95
	0.119		7.00
	0.117		6.99
After 72h	0.117	0.118 ± 0.001	6.96
	0.118		6.95
	0.117		6.97
Solubility of the test item (g/L)		0.116 ± 0.004	-
RSD%		2	-
pH of ultra-pure water		6.41 - 6.52

Conclusions:

The water solubility of the test substance was determined to be 0.116 ± 0.004 g/L (95 % confidence interval) at 20 °C ± 1 °C (pH 6.9 to 7.0).

Executive summary:

The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis. About 60 mg test substance was weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 100 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by HPLC. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 0.116 ± 0.004 g/L (95 % confidence interval) at 20 °C ± 1 °C (pH 6.9 to 7.0).

Description of key information

The water solubility of the test substance was determined to be 0.116 ± 0.004 g/L (95 % confidence interval) at 20 °C ± 1 °C (pH 6.9 to 7.0).

Key value for chemical safety assessment

Water solubility:

0.116 g/L

at the temperature of:

20 °C

Additional information

The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis. About 60 mg test substance was weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 100 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by HPLC. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 0.116 ± 0.004 g/L (95 % confidence interval) at 20 °C ± 1 °C (pH 6.9 to 7.0).