N-(2-oxo-1,2-dihydropyrimidin-4-yl)benzamide

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental Starting Date: 11 October 2012. Experimental Completion Date: 25 January 2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

N4-Benzoylcytosine

EC Number:

628-907-2

Cas Number:

26661-13-2

Molecular formula:

C11H9N3O2

IUPAC Name:

N4-Benzoylcytosine

Specific details on test material used for the study:

Identification: N-Benzoyl Cytosine
Description: Off white powder
Batch: NBC-5-11001
Purity: ≥ 95.0%
Expiry / Retest Date: Not supplied
Storage Conditions: Room temperature in the dark over silica gel

Results and discussion

Water solubility

Water solubility:

> 0.001 - < 0.01 g/L

Conc. based on:

test mat.

Incubation duration:

24 h

Temp.:

20 °C

pH:

>= 4.8 - <= 5

Details on results:

Due to problems developing and validating a suitable analytical procedure for low test item concentrations in water, it was considered that the water solubility would be assessed using visual appraisal, based on the flask method.

Any other information on results incl. tables

Preliminary Test

The sample concentrations, observations and solution pH are shown in the following table:

Sample	Concentration (g/L)	Observations	Solution pH
1	1.04	Cloudy white solution with excess test item present as sediment and adhered to the sides of the flask.	5.5
2	9.95	Clear, colorless solution with excess test item present as sediment on the surface and a small amount suspended within the solution	7
3	101	Opaque white liquid, with excess test item present as sediment and adhered to the sides of the flask.	7.1

Result: Less than 1.04 g/L at 20.0 ± 0.5 °C.

Definitive Test

The sample concentrations, observations and solution pH are shown in the following table:

Sample	Concentration (g/L)	Observations	Solution pH
4	1	Cloudy white solution, with excess test item present.	4.9
5	0.101	Clear, colorless solution, with excess test item present as sediment and at the surface.	4.6
6	1.04 x 10-2	Clear, colorless solution, with excess test item present as sediment and at the surface.	5
7	1.49 x 10-3	Clear, colorless solution, with no excess test item observed. No Tyndall beam observed.	4.8

Overall result: In the range 1.49 x 10-3 and 1.04 x 10-2 g/L of solution at 20.0 ± 0.5 °C.

Applicant's summary and conclusion

Conclusions:

The water solubility of the test item has been determined to be in the range 1.49 x 10-3 to 1.04 x 10-2 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

In the range 1.49 x 10-3 to 1.04 x 10-2 g/L of solution at 20.0 ± 0.5 °C, by visual appraisal, based on the flask method, designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.