Phenoxazin-5-ium, 3,7-bis(diethylamino)-, formate (1:1)

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

November 17 - November 24, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

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:

no

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

3,7-bis(diethylamino)phenoxazin-5-ium nitrate

EC Number:

277-539-5

EC Name:

3,7-bis(diethylamino)phenoxazin-5-ium nitrate

Cas Number:

73570-52-2

Molecular formula:

C20H26N3O.NO3

IUPAC Name:

3,7-bis(diethylamino)phenoxazin-5-ium nitrate

Test material form:

solid

Results and discussion

Water solubility

Water solubility 1

Key result

Water solubility:

1.39 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

252.6 g/L

Incubation duration:

24 h

Temp.:

30 °C

pH:

2.7

Water solubility 2

Key result

Water solubility:

1.23 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

267.8 g/L

Incubation duration:

48 h

Temp.:

30 °C

pH:

2.7

Water solubility 3

Key result

Water solubility:

1.37 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

252.3 g/L

Incubation duration:

72 h

Temp.:

30 °C

pH:

2.7

Details on results:

The mean water solubility of the test item at 20 °C was determined to be 1.33 g/L (± 0.09 g/L).

Any other information on results incl. tables

Individual results

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 visually checked for any undissolved particles.

Table 4: 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
99.6	0.1	0.1	not dissolved
	0.4	0.5	not dissolved
	0.5	1.0	not dissolved
	1.0	2	not dissolved
	8.0	10	dissolved

The preliminary test showed that the water solubility of the test item is < 49.8 g/L. According to the preliminary test the water solubility was determined by the flask method in the main test.

Flask method

The data for the evaluation are given in Table 5. After the equilibration time precipitate was observed in the flasks of the experiments excluding in the blank experiment. The water solubility was calculated from the measured and unrounded concentration values and not from the rounded values given in Table 5.

Table 5: Water solubility experiments of the test item

Experiment	24 h experiment	48 h experiment	72 h experiment	Blank experiment (72 h)
Amount of test item / g	2.5255	2.6781	2.5231	--
Amount of demineralized water / mL	10	10	10	10
Stirring time at 30 °C / h	24	48	72	72
pH at 24 °C	2.7	2.7	2.7	6.0
Dilution factor	400	400	400	400
Measured concentration / mg/L	3.50 / 3.46	3.07 / 3.09	3.43 / 3.41	-- / --
Mean concentration / mg/L	3.48	3.08	3.42	--
Water solubility / g/L	1.39	1.23	1.37	--

The water solubility of the test item at 20 °C was determined to be 1.33 g/L (± 0.09 g/L).

Applicant's summary and conclusion

Executive summary:

The water solubility c_S of the test item at a temperature of 20 °C was determined according to the flask method. It was found to be:

                                                                 c_S = 1.33 g/L (± 0.09 g/L)