Reaction mass of substituted-(naphthalen-1-methyl)heteromonocyclic chloride and propane-1,2-diol

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental Starting Date: 20 July 2012; Experimental Completion Date: 23 January 2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Test material form:

other: solid

Results and discussion

Water solubility

Water solubility 1

Water solubility:

>= 99.2 g/L

Temp.:

20 °C

pH:

3.5

Remarks on result:

other: The solubility of the substituted-(naphthalen-1-methyl)heteromonocyclic chloride content of the test item was determined analytically to be equivalent to ≥99.2 g/L of solution

Water solubility 2

Water solubility:

12.6 - 99 g/L

Temp.:

20 °C

pH:

3.5

Remarks on result:

other: A number of impurity peaks were also monitored and these showed varied solubility characteristics, with equivalent test item concentrations in the range 12.6 to ≥99.0 g/L of solution

Any other information on results incl. tables

Results

Preliminary Test

The preliminary estimation of the water solubility, as equivalent test item concentration (g/L) monitoring the substituted-(naphthalen-1-methyl)heteromonocyclic chloride content of the test item, and the sample solution pH, are shown in the following table:

 

 

Equivalent Test Item Concentration (g/L)	Solution pH
≥51.1	3.4

Definitive Test

See attached background material for typical chromatography.

The mean peak areas relating to the standard and sample solutions are attached in background material. Quantification was performed using the x 200 dilution factor sample solutions, which resulted in mean peak areas most comparable to the standard solutions on analysis for a majority of the components.

The definitive test sample solution concentration, as equivalent test item concentration (g/L) monitoring the substituted-(naphthalen-1-methyl)heteromonocyclic chloride content of the test item, and the sample solution pH, are shown in the following table:

 

Table 3.22

 

Equivalent Test Item Concentration (g/L)	Solution pH
≥99.2	3.5

The definitive test sample solution concentration of a number of impurities present in the test item, as equivalent test item concentration (g/L), and the sample solution pH are shown in the following table:

 

 

Table 3.23

 

Components Monitored (Retention Time  in Minutes)	Mean Equivalent Test Item Concentration  (g/L)	Solution pH
3.0 to 16.5[1]	≥99.0	3.5
16.5 to 18.0	35.5
18.2 to 19.2	≥97.8
19.4	23.4
20.5 to 22.0	73.0
22.5 to 23.5	69.1
23.8 to 24.9	12.6

[1]Including response originating from the substituted-(naphthalen-1-methyl)heteromonocyclic chloride

content of the test item

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The solubility of the substituted-(naphthalen-1-methyl)heteromonocyclic chloride content of the test item was determined analytically to be equivalent to ≥99.2 g/L of solution at 20.0 ± 0.5 °C.

A number of impurity peaks were also monitored and these showed varied solubility characteristics, with equivalent test item concentrations in the range 12.6 to ≥99.0 g/L of solution at 20.0 ± 0.5 °C.

No determination of the water solubility of the propane-1,2-diol content of the test item was performed as this compound had been identified from literature references to be miscible with water.

Executive summary:

Method

The determination was carried out using a flask method, designed to address the data endpoint of Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995, and Method 830.7840 of the OPPTS Guidelines.

 

Result

The solubility of the substituted-(naphthalen-1-methyl)heteromonocyclic chloride content of the test item was determined analytically to be equivalent to ≥99.2 g/L of solution at 20.0 ± 0.5 °C.

A number of impurity peaks were also monitored and these showed varied solubility characteristics, with equivalent test item concentrations in the range 12.6 to ≥99.0 g/L of solution at 20.0 ± 0.5 °C.

No determination of the water solubility of the propane-1,2-diol content of the test item was performed as this compound had been identified from literature references to be miscible with water.