1,3,2-dioxathiolane 2,2-dioxide

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018.2.27 - 2018.4.5

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

not specified

Other quality assurance:

ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)

Type of method:

flask method

Specific details on test material used for the study:

Sample name: supplied as a name of ESA
Appearance: White powder
Chemical name: 1,3,2-Dioxathiolane, 2,2-dioxide
Purity: 100 %

Water solubility:

714 g/L

Conc. based on:

test mat.

Incubation duration:

>= 2 - <= 4 d

Temp.:

20 °C

pH:

< 1

Details on results:

Preliminary test
An aliquot (1 g) of the sample was diluted to 1 ml of water. The mixture was shaken for 1 hr at 30 ± 0.5 ºC and was visually checked. The approximate water solubility of ESA was determined to be less than 1 000 000 mg/L.

Water solubility of ESA

 

Sample name	Water solublllty
ESA	714 g/L at 20°C

 

Elemental analysis

 

Sample name	C(wt%}	H(wt%}	N(wt%}
ESA	18.95	3.19	0.00

 

Blank test in water

 

Sample name	TOC (mg/L}
Blank	0.48

 

 

 

TOC content measurement after test

 

Time (day)	Sample conc (mg/L)	TQC a) (mg/l)	TOC b) (mg/L)	Average ΔTOC (mg/L)	Theoretical maximum TOC c)(mg/L)
1 day	1 000 000	132 380	132 380	132 931	189 541
		133 482	133 482
2 days	1 000 000	136 986	136 986	136 787	189 541
		136 588	136 588
3 days	1 000 000	132 783	132 783	133 483	189 541
		134 184	134 184
4 days	1 000 000	135 884	135 884	135 535	189 541
		135 186	135 186

a)  TOC = Total organic carbon x dilution factor (1000)

b)   ΔTOC = TOC after test x dilution factor (1000) -TOC of blank  water

c)   Theoretical maximum TOC (mg/L) = sample concentration x carbon percentage = {sample weight (mg) /buffer volume (ml)} x {carbon percentage in elemental analysis(%) x 0.01}

Water solubility and the pH change of samples after testing

 

Time (day)	Water solubility(mg/L) a)	Water solubility(g/L)	pH after test b)
1	701 329	701	<1
2	721 672	722	<1
3	704 244	704	<1
4	715 067	715	<1

a) Water solubility (g/L) = (C2 /C1)x 0.1

Where   C1= Carbon percentage in elemental analysis (%)

C2 = Measured ΔTOC (mg/L)

b) The pH of samples after testing

Water solubility results

 

Time (day)	Water solubility (g/L)a>	Mean (g/L)	MD(%)b)
2	722	714	2.4
3	704
4	715

a) Water solubility (g/L) = (C2 /C1) x 0.1

Where  C1= Carbon percentage in elemental analysis (%)

C2 = Measured TOC (mg/L)

b) Maximum deviation= [(highest- lowest)/mean] x 100%

where    mean = the mean value of the highest and the lowest value

The water solubility of the samples for l day, 2 days, 3 days and 4 days was 701 g/L - 722 g/L. The deviation of the concentrations in the 2 days, 3 days and 4 days test samples was 2.4 % (< 15 %). Therefore, the water solubility of ESA was calculated as the mean of 2 days, 3 days and 4 days test results.

Mean concentration : 714 g/L at 20 °C

 

Conclusions:

The flask method from OECD TEST Guidelines 105 was chosen for the water solubility test. The amount of the chemical dissolved in water was analyzed by the TOC (total organic carbon). The water solubility of ESA was determined to be 714 g/L at 20 ºC after four days of testing.

Executive summary:

The flask method from OECD TEST Guidelines 105 was chosen for the water solubility test. The amount of the chemical dissolved in water was analyzed by the TOC (total organic carbon). The water solubility of ESA was determined to be 714 g/L at 20 ºC after four days of testing.

Description of key information

The flask method from OECD TEST Guidelines 105 was chosen for the water solubility test. The amount of the chemical dissolved in water was analyzed by the TOC (total organic carbon). The water solubility of ESA was determined to be 714 g/L at 20 ºC after four days of testing.

Key value for chemical safety assessment

Water solubility:

714 g/L

at the temperature of:

20 °C