6-amino-2-(2,4-dimethylphenyl)-1H-benz[de]isoquinoline-1,3(2H)-dione

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

10 November 2016 to 15 January 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same 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

Specific details on test material used for the study:

- Purity/composition correction factor: Yes, correction factor is 1.031 according to active ingredient

Key result

Water solubility:

4.06 mg/L

Conc. based on:

act. ingr.

Temp.:

20 °C

pH:

7.6

Details on results:

The coefficient of variation (CV) (n = 10) was ≤ 30 % at both flow rates (24 and 12 mL/h). It demonstrated that the system was equilibrated at all flow rates.
The maximum difference (MD) on the mean values of the samples at both flow rates was also ≤ 30 %. Based on this, the water solubility of the test material is given as the mean value of these measurements.
The mean value for the 24 and 12 mL/h hour flow rates were 4.13 and 3.99 mg a.i./L, respectively, with coefficients of variation of 0.63 and 0.40, respectively.
The turbidity of the eluates at a flow rate of 12 and 24 mL/h was 0.647 and 0.355 NTU, respectively. However, the results were accepted since this had no effect on the study results.
No test material was detected in the samples from the blank column.

Conclusions:

The water solubility of the test material at 20 °C was 4.06 mg a.i./L (pH 7.6).

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 a suitable column was filled with the carrier material. 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 ± 0.2 °C.

The water solubility of the test material at 20 °C was 4.06 mg a.i./L (pH 7.6).

Description of key information

The water solubility of the test material at 20 °C was 4.06 mg a.i./L (pH 7.6).

Key value for chemical safety assessment

Water solubility:

4.06 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 a suitable column was filled with the carrier material. 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 ± 0.2 °C.

The water solubility of the test material at 20 °C was 4.06 mg a.i./L (pH 7.6).