2-(4-Bromphenyl)-5-butyl-1,3-dioxane, trans-

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-04-09 to 2018-04-18

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Key result

Water solubility:

1.1 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

100 mg/L

Incubation duration:

45 h

Temp.:

20 °C

pH:

7

Preliminary test

In 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.

 

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
99.1	0.1	0.1	not dissolved
99.1	0.4	0.5	not dissolved
99.1	0.5	1.0	not dissolved
99.1	1.0	2	not dissolved
99.1	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 24 hours, and visually checked for any undissolved particles.

 

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 24 hours, and visually checked for any undissolved particles.

 

Column elution method

 

Column 1: 

Rotation period of the fraction collector: 90 min per fraction

Duration of sampling: about 48 h (32 fractions)

 

Column elution method, column 1 (approximately 12.5 mL/h)

Fraction no.	V /mL	PH	water solubility µg/L
23	17.0	5.7	1100
24	16.5	5.7	1111
25	16.5	5.7	1112
26	16.5	5.8	1080
27	16.5	5.8	1070

The water solubility was found to be 1095 µg/L.

 

Column 2:

Rotation period of the fraction collector: 45 min per fraction
Duration of sampling: about 45 h (61 fractions)

 

Column elution method, column 2 (approximately 25.0 mL/h)

Fraction no.	V /mL	pH	water solubility µg/L
50	18.5	5.8	1158
51	18.0	5.8	1122
52	18.0	5.7	1141
53	18.0	5.7	1112
54	18.0	5.8	1113

The water solubility was found to be 1129 µg/L.

 

In both columns the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed. 

The water solubility (mean value of the columns) of the test item was determined to be : 1112 µg/L (± 24 µg/L).

Conclusions:

The water solubility of the test item at a temperature of 20°C was determined to be 1.1 mg/L at 20 °C.

Executive summary:

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. 99.1 mg of the test item were dissolved in 100 mL acetone. For charging the columns in each case 25 mL of the test item solution was added to about 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator (50 °C, approx. 20 mbar). The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water (test temperature: 20 °C; water pH at 23 °C: 5.5). After a swelling time of 2 h pumps were started to rinse the test item coated sand with distilled water. The values for the water solubility were calculated from fractions 23 to 27 for the 12.5 mL/h column and from the fractions 50 to 54 for the 25.0 mL/h column. In both columns the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed. The water solubility of the test item at a temperature of 20°C was determined to be 1.1 mg/L at 20 °C.

Description of key information

The water solubility of the test item at a temperature of 20°C was determined to be 1.1 mg/L at 20 °C (reference 4.8 -1).

Key value for chemical safety assessment

Water solubility:

1.1 mg/L

at the temperature of:

20 °C

Additional information

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. 99.1 mg of the test item were dissolved in 100 mL acetone (reference 4.8 -1). For charging the columns in each case 25 mL of the test item solution was added to about 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator (50 °C, approx. 20 mbar). The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water (test temperature: 20 °C; water pH at 23 °C: 5.5). After a swelling time of 2 h pumps were started to rinse the test item coated sand with distilled water. The values for the water solubility were calculated from fractions 23 to 27 for the 12.5 mL/h column and from the fractions 50 to 54 for the 25.0 mL/h column. In both columns the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed.The water solubility of the test item at a temperature of 20°C was determined to be 1.1 mg/L at 20 °C.