Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-carboxylate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 02 May 2016 to 24 June 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2016

Report date:

2016

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2014

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-carboxylate

EC Number:

245-048-5

EC Name:

Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-carboxylate

Cas Number:

22509-74-6

Molecular formula:

C11H9NO4

IUPAC Name:

ethyl 1,3-dioxo-2,3-dihydro-1H-isoindole-2-carboxylate

Test material form:

solid

Details on test material:

- Appearance: white solid
- Storage conditions of test material: in refrigerator (2-8°C)

Results and discussion

Water solubility

Key result

Water solubility:

0.4 g/L

Incubation duration:

>= 1 - <= 2 h

Temp.:

20 °C

pH:

>= 3 - <= 3.2

Remarks on result:

other: Water solubility was calculated from the concentrations analysed after 1 h and 2 h of stirring. Significant decrease in conc. was measured after 2h of stirring.

Details on results:

Main study 1 (24, 48 and 72 hrs of stirring)
The maximum difference of the concentrations determined in the 24, 48 and 72 hours test samples was = 15% (183% was calculated). The concentrations measured after 48 and 72 hours of stirring are much lower than after 24 hour of stirring. Additional peaks were observed in the chromatograms of the water solubility sample at 0.24 and 0.33 minutes, which possibly indicates degradation of the test item in water.

Main study 2 (1, 2, 3, 4 and 5 hrs of stirring)
The analysed concentration that decreases in time indicates the degradation of the test item in water. Therefore, only the 1 and 2 hours measurement results were taken into account for the calculation of the water solubility. The maximum difference of the concentrations determined in the 1 and 2 hours test samples was <15% (0.80% was calculated).

Any other information on results incl. tables

Results of Main study 1 and Main study 2

Stirring time [h]	Concentration analysed [g/L]	pH
1	0.430	3.2
2	0.433	3.1
3	0.345	3.0
4	0.290	3.0
5	0.154	3.0
24	0.0171	3.0
48	0.000745	3.0
72	0.00320	3.0

Applicant's summary and conclusion

Conclusions:

The water solubility at 20°C of the substance Carbaethoxyphthalimid was determined to be 0.4 g/L.

Executive summary:

The water solubility was determined using the flask method in a GLP study according to EC A.6, OECD 105 and OPPTS 830.7840.

The stirring times were 24, 48 and 72 h (main study 1) and 1, 2, 3, 4 and 5 h (main study 2). Quantification was performed by UPLC.

The water solubility at 20°C was calculated to be 0.4 g/L from the measurements obtained after 1 and 2 hours of stirring. Longer stirring times resulted in a significant decrease in concentration, probably due to degradation. The pH of the aqueous samples was 3.