Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

05 Dec - 20 Dec 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

GLP guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Italian Ministry of Health, Rome, Italy

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile

EC Number:

947-727-8

Cas Number:

568591-00-4

Molecular formula:

C9H13N3

IUPAC Name:

Reaction mass of 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile and 2-ethyl-5-methyl-1H-imidazole-1-propiononitrile

Specific details on test material used for the study:

Storage: Protected from light at room temperature.

Results and discussion

Water solubility

Water solubility:

330.6 g/L

Temp.:

20 °C

pH:

>= 9.83 - <= 9.87

Any other information on results incl. tables

 Preliminary test of Water solubility

The aqueous solubility at 25 °C of the test item “2E4MZ-CN” was reported in the below Table 8.

Table 8: Global results of the preliminary test of water solubility at 25 °C.

Preliminary test

Approximate solubility 200 to 100 g/L

 

Specificity

The method proved to be specific; in fact it has been verified that blank and matrix solutions do not interfere with the peaks of active ingredient.

Linearity

Method Linearity was tested on the active ingredient on 5 different concentration levels from 50% to 150% of the theoretical amount of active ingredient in the sample. All acceptance criteria (R > 0.99 and/or the confidence interval at 95% for the intercept contains zero) were satisfied.

Table 9:

Linearity
R	0.9991
R^2	0.9983
Slope	22.6792
Intercept	7.1353
Confidence interval at 95% for the intercept	[-0.0017;0.0017]

 

Water solubility test

The aqueous solubility at 20 °C of the test item “2E4MZ-CN “ was reported in the below Table 10.

Table 10: Global results of the water solubility test at 20 °C

Water solubility test

Aqueous solubility 330.6 g/L

RSD%= 0.37%

 

 

The results from vessels 1, 2 and 3 did not show a tendency of increasing values; for this reason the individual results from each of the three flasks, which did not differ by more than 15%, are averaged.

 

pH determination

The pH determination at 20 °C of each test sample “2E4MZ-CN “ was reported in the below Table 11.

Table 11: Global results of the water solubility test at 20 °C

	S1	S2	S3
pH (20 °C)	9.86	9.87	9.86

 

Deviations

No deviations were recorded during the study.