Trimethyl[2-(phosphonooxy)ethyl]ammonium chloride, calcium salt (1:1)

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

April 27, 2017 - September 22, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

ca. 203.511 g/L

Conc. based on:

test mat.

Incubation duration:

1 - 3 d

Temp.:

30 °C

pH:

7.79 - 7.83

In the test, the following flasks were used:

Flasks 1 (samples 1 & 2) - for one day at 30ºC.

Flasks 2 (samples 3 & 4) - for two days at 30ºC.

Flasks 3 (samples 5 & 6) - for three days at 30ºC.

The individual results form each of three flasks, which should not differ by more than 15%, are averaged. If the cocentrations measured in at least the two las samples do not differ by more than 15% the test is satisfactory.

Water solubility is expressed in mass of solute per volume of solution.

Table 1. Results of the preliminary test

0.1g in x mL of solution	0.1	0.5	1	2	10	100	>100
Soluble (+/-)	-	-	+
Approximate solubility, g/L	> 1000	1000 to 200	200 to 100	100 to 50	50 to 10	10 to 1	<1

 x – water of pH 5.6 

Table 2: Calibration solution

                                                                                       

No. of the sample131702/wz	Weight of the sample  [g]	Volume of titrant  [ml]	Content [%]	Content [g/kg]	Average
Day 1/1	0.1015	3.18	103.409	1 034.1	1 025.93
Day 1/2	0.1086	3.33	101.227	1 012.3
Day 1/3	0.1019	3.19	103.144	1 031.4
Day 2/1	0.1033	3.22	102.928	1 029.3	1 029.59
Day 2/2	0.1044	3.26	103.022	1 030.2
Day 2/3	0.1028	3.21	102.928	1 029.3
Day 3/1	0.1094	3.41	102.741	1 027.4	1 025.78
Day 3/2	0.1029	3.19	102.290	1 022.9
Day 3/3	0.1065	3.32	102.702	1 027.0

 

Table 3: Study solution – solubility day 1

 

No. of the sample131702/wz	Weight of the sample  [g]	Volume of titrant  [ml]	Content [%]	Content [g/kg]	Average
01/1	1.0778	6.01	18.373	188.496	187.819
01/1	1.0885	6.03	18.261	187.345
01/1	1.0986	6.09	18.287	187.615
01/2	1.0971	6.07	18.244	187.169	187.890
01/2	1.0762	5.98	18.337	188.122
01/2	1.0725	5.97	18.362	188.380

 

 

Table 4: Study solution – solubility day 2

 

No. of the sample131702/wz	Weight of the sample  [g]	Volume of titrant  [ml]	Content [%]	Content [g/kg]	Average
01/3	1.0901	6.07	18.375	189.190	189.858
01/3	1.0949	6.16	18.547	190.958
01/3	1.0692	5.97	18.398	189.427
01/4	1.0650	5.97	18.468	190.145	190.110
01/4	1.0768	6.04	18.481	190.275
01/4	1.0781	6.03	18.445	189.910

 

 

 

Table 5: Study solution – solubility day 3

No. of the sample131702/wz	Weight of the sample  [g]	Volume of HCl [ml]	Content [%]	Content [g/kg]	Average
01/5	1.0900	6.08	18.387	188.614	189.052
01/5	1.0916	6.09	18.401	188.756
01/5	1.0726	6.02	18.502	189.785
01/6	1.0990	6.13	18.400	188.747	188.744
01/6	1.0912	6.09	18.392	188.658
01/6	1.0935	6.10	18.408	188.827

 

 

Table 6. Results of the2-Trimethylazaniumylethyl phosphate chloride,tetrahydratesolubility in water

Mixing timeatC   [days, flasks]	1		2		3
Samples	1	2	3	4	5	6
Temperature                               [ºC]	19.6		20.1		20.0
pH	7.82		7.79		7.83
Concentration of 2-Trimethylazaniumylethyl phosphate chloride,tetrahydrate        [g/kg]	187.819	187.890	189.858	190.110	188.052	188.744
Average concentration of 2-Trimethylazaniumylethyl phosphate chloride,tetrahydrate[g/kg]	187.855		189.984		188.898
Average concentrationof 2-Trimethylazaniumylethyl phosphate chloride,tetrahydrate[g/kg]	188.912

 

The solubility of the2-Trimethylazaniumylethyl phosphate chloride,tetrahydrate in water is 188.912 g/kg. The density of this solution is 1.077 kg/L. After recalculation:

 

The solubility of the 2-Trimethylazaniumylethyl phosphate chloride,tetrahydrate

 in water is 203.458 g/L

 

Conclusions:

The solubility of the test item at 20 ± 0.5 ºC and at pH ranging from 7.79 to 7.83 is 203.458 g/L.

Executive summary:

The study of determination of test item solubility in water at one pH value using shake flask method was performed accoding to OECD 106 and EU method A.6, following GLP. The test item content in obtained samples for study of the solubility in the water was determined by potentiometric tritiation method, using a Titrometer TitroLine alpha, SCHOTT. The solubility of the test item at 20 ± 0.5 ºC and at pH ranging from 7.79 to 7.83 is 203.458 g/L.

Description of key information

Key study. OECD 105 and EU A.6. GLP study. The solubility of the test item at 20 ± 0.5 ºC and at pH ranging from 7.79 to 7.83 is 203.458 g/L.

Key value for chemical safety assessment

Water solubility:

203.458 g/L

at the temperature of:

20 °C

Additional information

Key study: The study of determination of test item solubility in water at one pH value using shake flask method was performed according to OECD 106 and EU method A.6, following GLP. The test item content in obtained samples for study of the solubility in the water was determined by potentiometric titration method, using a Titrometer TitroLine alpha, SCHOTT. The solubility of the test item at 20 ± 0.5 ºC and at pH ranging from 7.79 to 7.83 is 203.458 g/L.