Benzoyl chloride, 3-methoxy-2-methyl-

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

23 September 1996 - 17 March 1997

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

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. The result is a relatively low limit value; ideally the study would have tested at higher concentrations.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1998

Report date:

1998

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:

Due to the rapid hydrolysis of the test substance in water, the solubility of its hydrolysis product, MMBA (3-methoxy-2-methylbenzoic acid), was determined. Development work showed that the solubility of MMBA (3-methyoxy-2-methylbenzoic acid) increased with the addition of test substance. Therefore the test was performed with the maximum concentration of test substance in water that could be physically stirred.

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

427-440-1

EC Name:

-

Cas Number:

24487-91-0

Molecular formula:

C9H9ClO2

IUPAC Name:

2-Methyl-3-methoxy benzoyl chloride

Test material form:

other: solid mass

Details on test material:

MMBC
Appearance: light brown solid
Storage conditions: room temperature

Results and discussion

Water solubility

Key result

Water solubility:

> 0.4 g/L

Temp.:

20 °C

pH:

>= -0.77 - <= -0.58

Details on results:

Analytical data is given in Table 1 yielding a range of water solubility results of 0.35050 g/L to 0.43362 g/L (mean 0.40299 g/L). The pH values of the solutions ranged from -0.77 to -0.58.

Quality control data is given in Table 2 showing a recovery of 104.7 % (mean of 105.7 % and 103.6 %).

No peaks were observed at the retention time of the test substance in any of the blank solutions, showing the analytical method was free of interferences.

Any other information on results incl. tables

Table 1 Analytical Data

Test	Integrated Peak Area	Water Solubility (g/L)	Mean Water Solubility for Each Test (g/L)	Overall Mean Solubility (g/L)	pH
1A 1B   2A 2B   3A 3B	43821824 41388608   41747648 35336832   42308800 39567616	0.43362 0.40979   0.41330 0.35050   0.41880 0.39195	0.42170     0.38190     0.40537	0.40299	-0.58 -0.73   -0.74 -0.71   -0.77 -0.77

Blank 1 pH 6.70

Blank 2 pH 7.3

Blank 3 pH 6.91

 

Table 2 Quality Control Data

Quality Control Solution	Integrated Peak Area	Analysed Concentration (µg/mL)	Nominal Concentration (µg/mL)	Recovery (%)	Mean Recovery (%)
1 2	53701120 52629888	1060.8 1039.8	1003.5 1003.5	105.7 103.6	104.7

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The water solubility of MMBC was determined as MMBA and found to be > 0.40 g/L at 20°C.

Executive summary:

Given the very rapid hydrolysis of MMBC this study has been conducted on the hydrolysis product MMBA. The water solubility of MMBA has been determined to be > 0.40 g/L at 20°C. The test was conducted in accordance with EU Method A.6.