Benzeneacetyl chloride, 2,5-dimethyl-

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2006-10-13 to 2007-02-09

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

361 mg/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

30 °C

pH:

3.55

Remarks on result:

other: loading of 24.9 mg/10 mL

Details on results:

24.9 mg (= 24.5 mg test item; experiment 1) and 21.5 mg (= 21.2 mg test item; experiment 2) of the test item were stirred in 10 mL distilled water at 20°C (24 h). Aliquots of the saturated aqueous phase were filtered (Schleicher and Schull, 0.2 µm). In the diluted filtrates the concentration of the test item was determined by HPLC analysis.
Results: Measured concentrations:
Experiment 1: 402 mg/L, measured pH 3.56
Experiment 2: 441 mg/L, measured pH 3.56.
10 mL distilled water were added to three weighed amounts of the test item and stirred at 30°C for different time intervals. After equilibration (24 h at 20°C) aliquots of the saturated aqueous phase were filtered (Schleicher + Schull, 0.2 µm).
5 ml of each filtrate was then filled up with acetonitrile to a volume of 10 mL. 1 mL of this solution was filled up with acetonitrile / water 50/50 (v/v) to a volume of 100 ml.

Validity criteria for the measurement of the water solubility:

Target condition according to guideline:	Actual condition according to the study:	Validity criteria met:
The individual results from each of the three flasks, which should not differ by more than 15%, are averaged.	Three flasks were tested. The highest and lowest value measured differed in approx. 9%.	Yes
A substance-specific analytical method is preferred for these determinations, since small amounts of soluble impurities can cause large errors in the measured solubility. Examples of such methods are: gas or liquid chromatography, titration methods, photometric methods, voltametric methods.	HPLC was used for analytical measurements.	Yes
The pH of each sample should be recorded.	The pH of each sample was stated in the study report.	Yes

 

Conclusions:

The water solubility of the substance was determined to be 361 mg/L using the flask method as described in OECD 105. The measurement was done by HPLC and the water solubility was determined as the mean result of three measurements.

Executive summary:

The solubility Cs of the test item in distilled water has been determined according to the

"flask method" described in guideline 92/69/EEC, appendix A.6 and OECD-guideline 105.

The result of the solubility measurements is given in the following table:

 

Solubility in	pH range ^1)	cs Solubility at 20°C	RSD
Distilled water	3.5-3.6	361 mg/L	4.6 %

¹⁾ pH- range of 3 experiments

Description of key information

The water solubility of the substance was determined to be 361 mg/L using the flask method as described in OECD 105. The measurement was done by HPLC and the water solubility was determined as the mean result of three measurements.

Key value for chemical safety assessment

Water solubility:

361 mg/L

at the temperature of:

30 °C