3,5-dimethylbenzoyl chloride

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21 July 1992 - 4 February 1993

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

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

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1993

Report date:

1993

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Principles of method if other than guideline:

Water solubility of dimethylbenzoic acid (DMBA), the hydrolysis product of DMBC, was determined by the flask stirring method.

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

3,5-dimethylbenzoyl chloride

EC Number:

413-010-9

EC Name:

3,5-dimethylbenzoyl chloride

Cas Number:

6613-44-1

Molecular formula:

C9H9ClO

IUPAC Name:

3,5-dimethylbenzoyl chloride

Details on test material:

DMBC
Appearance: clear, colourless liquid
Storage conditions: room temperature in the dark

Results and discussion

Water solubility

Water solubility:

0.079 g/L

Temp.:

20 °C

pH:

2.46

Remarks on result:

other: Result for the hydrolysis product dimethylbenzoic acid.

Details on results:

Calibration data give a correlation coefficient of 0.99549, a slope of 37029 and an intercept of 7408.3, showing the analytical method to be linear over the standard concentration range.

- Analytical data are given in Table 1 yielding water solubilities of dimethylbenzoic acid of 0.074617 - 0.081358 g/L (mean 0.079017 g/L).
- Recovery data are given in Table 2 giving recovery values of 104.5 % and 103.9 %.
- Test substance was not detected in the blank solution, indicating that the method was free from interferences.
- The DMBC and DMBA retention volumes (5.0 mL and 2.9 mL respectively) have been verified by use of analytical standards.

Any other information on results incl. tables

Table 1 Analytical Data: Water Solubility of Dimethylbenzoic acid

Test	Integrated Peak Area	Water Solubility (g/L)	Mean Water Solubility Each Test (g/L)	Mean Water Solubility (g/L)	pH
1A 1B 2A 2B 3A 3B	302894 293208 308669 306887 304638 283705	0.079799 0.077183 0.081358 0.080877 0.080270 0.074617	0.078491   0.081118   0.077443	0.079017	2.39 2.42 2.49 2.56 2.41 2.51

pH of the blank = 5.85

 

Table 2 Recovery Data

Duplicate	Integrated Peak Area	Analysed Concentration (g/L)	Nominal Concentration (g/L)	% Recovery
A B	312396 310718	0.0082365 0.0081912	0.0078819 0.0078819	104.5 103.9

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The solubility of the hydrolysis product, dimethylbenzoic acid, has been found to be 0.079 g/L at 20 °C.

Executive summary:

DMBC is unstable in water, being immediately converted to the corresponding acid. This makes it impossible to determine its water solubility.

The solubility of the hydrolysis product, dimethylbenzoic acid, has been found to be 0.079 g/L at 20 °C. The test was conducted in accordance with EEC Method A6.

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