2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazole-5-sulphonamide

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

03 November 2016 to 16 December 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2014

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Key result

Water solubility:

< 0.006 mg/L

Conc. based on:

test mat.

Incubation duration:

6 d

Temp.:

20 °C

pH:

>= 8.4 - <= 8.5

Details on results:

PRELIMINARY TEST
The content of test material dissolved in the water sample was 0.0668 mg/L.

MAIN STUDY
For the samples taken at a flow rate of 12 and 24 mL/h, no test material was detected at either flow rate. The analysed concentrations are therefore reported to be below the limit of detection.
The turbidity of the eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates.
No test material was detected in the samples from the blank column.

Conclusions:

Under the conditions of this study, the water solubility of the test material at 20 °C was <0.0061 mg/L.

Executive summary:

The water solubility of the test material was determined in accordance with the standardised guidelines OECD 105, EU Method A.6 and US EPA OPPTS 830.7840 under GLP conditions.

Following a preliminary study, the column elution method was considered to be the most appropriate.

A test material solution was prepared in acetone and mixed with column material. Acetone was completely evaporated and the loaded carrier material stored for 6 days at room temperature. A suitable column was filled with the carrier material and double distilled water was pumped through the column until it was completely filled. The system was allowed to equilibrate for two hours.

After the stabilisation period, the column was eluted with double distilled water at a flow rate of 24 mL/hour. Ten consecutive samples of 2 mL were taken. The flow was halved to 12 mL/hour and ten consecutive samples of 2 mL were taken. Analysis was performed on subsamples of 0.6 mL. The samples were diluted in a 3:2 (v:v) ratio with acetonitrile and analysed. The column elution method was performed at 19.9 ± 0.1 °C.

For the samples taken at a flow rate of 12 and 24 mL/h, no test material was detected at either flow rate. The analysed concentrations are therefore reported to be below the limit of detection.

Under the conditions of this study, the water solubility of the test material at 20 °C was <0.0061 mg/L.

Description of key information

Under the conditions of this study, the water solubility of the test material at 20 °C was <0.0061 mg/L.

Key value for chemical safety assessment

Water solubility:

0.006 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the test material was determined in accordance with the standardised guidelines OECD 105, EU Method A.6 and US EPA OPPTS 830.7840 under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

Following a preliminary study, the column elution method was considered to be the most appropriate.

A test material solution was prepared in acetone and mixed with column material. Acetone was completely evaporated and the loaded carrier material stored for 6 days at room temperature. A suitable column was filled with the carrier material and double distilled water was pumped through the column until it was completely filled. The system was allowed to equilibrate for two hours.

After the stabilisation period, the column was eluted with double distilled water at a flow rate of 24 mL/hour. Ten consecutive samples of 2 mL were taken. The flow was halved to 12 mL/hour and ten consecutive samples of 2 mL were taken. Analysis was performed on subsamples of 0.6 mL. The samples were diluted in a 3:2 (v:v) ratio with acetonitrile and analysed. The column elution method was performed at 19.9 ± 0.1 °C.

For the samples taken at a flow rate of 12 and 24 mL/h, no test material was detected at either flow rate. The analysed concentrations are therefore reported to be below the limit of detection.

Under the conditions of this study, the water solubility of the test material at 20 °C was <0.0061 mg/L.