2-methyl-2H-isothiazol-3-one hydrochloride

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 August 2017 to 08 Nobember 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Principles of method if other than guideline:

Shake flask

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

2-Methyl-4-Isothiazolin-3-One Hydrochloride

Cas Number:

26172-54-3

Molecular formula:

C4H5NOS.HCl

IUPAC Name:

2-Methyl-4-Isothiazolin-3-One Hydrochloride

Test material form:

solid

Details on test material:

MIT.HCl as manufacured has a purity of >99.9% therefore the technical grade and analytical grade are identical

Specific details on test material used for the study:

Batch Number 10013913, Purity >99.9%, Expiry Date 30 November 2018
Analytical grade and technical grade material are identical

Results and discussion

Water solubility

Key result

Water solubility:

ca. 420.3 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

1 429 g/L

Incubation duration:

ca. 72 h

Temp.:

20 °C

pH:

ca. 0

Any other information on results incl. tables

time of shaking	Analyte concentration Flask 1	Analyte concentration Flask 2	pH value
[h]	[g/L]	[g/L]
24	422.9	420.6	0
48	420.9	416.5	0
72	419.8	420.9	0
Mean:	421.2	419.3	0
SD:	1.6	2.5	0
RSD [%]:	0.4	0.6
Overall Mean:		420.3
Overall AD:		1.9
Overall RD [%]:		0.5

Applicant's summary and conclusion

Conclusions:

The solubility of 2-Methyl-4-isothiazolin-3-one hydrochloride was determined in ultra-pure water in equilibrium with atmospheric carbon dioxide at a temperature of 20 ± 0.5 °C according to EC method A.6 (Regulation (EC) No 440/2008) and OECD guideline 105. The shake flask method was used, because the solubility determined in the preliminary test was above 10 mg/L.
The results are presented in the following table:

Determined pH 0
Mean solubility [g/L] 420.3

The results indicate the required reproducibility (relative standard deviation below 15 %) and no tendency to increasing values, when the shaking time was prolonged.

Executive summary:

The solubility of 2-Methyl-4-isothiazolin-3-one hydrochloride was determined in ultra-pure water in equilibrium with atmospheric carbon dioxide at a temperature of 20 ± 0.5 °C according to EC method A.6 (Regulation (EC) No 440/2008) and OECD guideline 105. The shake flask method was used, because the solubility determined in the preliminary test was above 10 mg/L.

The results are presented in the following table:

Determined pH               0

Mean solubility [g/L]       420.3

The results indicate the required reproducibility (relative standard deviation below 15 %) and no tendency to increasing values, when the shaking time was prolonged.