4-Butoxy-2,3-difluorophenylboronic Acid (contains varying amounts of Anhydride)

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

December 19, 2017 - April 27, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

European Commission Regulation (EC) No. 440/2008 and No. 260/2014

Deviations:

no

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:

44.4 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

ca. 5

Preliminary test

ln a stepwise procedure, increasing volumes of demineralized water were added at room temperature to a defined amount of the test item. After each addition of an amount of water the mixture was treated with ultrasound for 10 minutes and visually checked for any undissolved particles.

Table 1: Results of the preliminary test

Amount of test item /mg	Added volume of demineralized water /ml	Total volume of demineralized water / mL	Appearance of mixture
100.6	0.1	0.1	Not dissolved
100.6	0.4	0.5	Not dissolved
100.6	0.5	1.0	Not dissolved
100.6	1.0	2	Not dissolved
100.6	8.0	10	Not dissolved

 

Three additional preliminary tests were carried out with specified amounts of the test item and 100 ml and 500 ml demineralized water, respectively. After each addition of an amount of water, the mixture was stirred for at least 24 hours, and visually checked for any undissolved particles.

 

Table 2: Results of the preliminary test

Amount of test item /mg	Total volume of demineralized water / mL	Appearance of mixture
13.3	100	not dissolved
9.5	500	ambiguous
4.6	500	ambiguous

The test item was hardly visible in the last two preliminary tests. Therefore it was assumed that the water solubility of the test item is > 10 mg/l. According to the preliminary test the water solubility was determined by the flask method in the main test.

 

Flask method

The flask method was performed as described. The data for the evaluation are given in the table 3. After the equilibration time precipitate was observed in the flasks of the experiments excluding in the blank experiment. The water solubility was calculated from the measured and unrounded concentration values and not from the rounded values given in table 3.

Table 3: Water solubility experiments of the test item

Experiment	24 h experiment	48 h experiment	72 h experiment	Blank experiment 72 h
Amount of test item / mg	28.5	28.9	25.3	-
Amount of demineralized water / ml	50	50	50	50
Stirring at 30 °C / h	24	48	72	72
pH at 24 °C	4.9	4.7	4.8	5.6
Dilution Factor	4	4	4	4
Measured concentration /mg/l	11.08/11.17	11.37/11.40	10.79/10.80	-/-
Mean concentration /mg/l	11.12	11.39	10.80	-
Water solubility / mg/l	44.5	45.6	43.2	-

The water solubility of the test item at 20 °C was determined to be 44.4 mg/l (+/- 1.2 mg/l).

Conclusions:

The water solubility cs of the test item at a temperature of 20°C was determined according to the flask method. It was found to be: 44.4 mg/L (+/- 1.2 mg/L).

Executive summary:

The water solubility of the test item at a temperature of 20 °C was determined according to OECD 105 using the flask method. lt was found to be: 44.4 mg/L (+/- 1.2 mg/L).

Description of key information

The water solubility of the test item at a temperature of 20 °C was determined according to OECD 105 using the flask method. lt was found to be: 44.4 mg/L (+/- 1.2 mg/L).

Key value for chemical safety assessment

Water solubility:

44.4 mg/L

at the temperature of:

20 °C