2-methylenepropane-1,3-diyl diacetate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

This study was conducted between 21 April 2017 and 03 June 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

EC No. 440/2008 of 30 May 2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Information as provided by the Sponsor.
Identification: 2-methylene-1, 3-propanediol diacetate
(CAS: 3775-29-9)
Appearance/Physical state: Clear colorless liquid
Batch: 20160308(-88)
Purity: 99.7%
Expiry date: 31 March 2019
Storage conditions: Room temperature in the dark
[Stored at approximate 4 °C between 02 September 2016 and 08 February 2017, room temperature after this time]

Key result

Water solubility:

> 28.6 - < 29.3 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

150 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 3.2 - <= 3.3

Preliminary Test

The preliminary estimate of water solubility was approximately 75 g/L at 20.0 ± 0.5 °C.

Main Test

The mean peak areas relating to the standard and sample solutions are shown in the following table:

Solution	Mean peak area
Standard 599 mg/L	2.1635 x 10^6
Standard 609 mg/L	2.1937 x 10^6
Blank	Non detected
Sample 1A	2.0949 x 10^6
Sample 1B	2.0826 x 10^6
Sample 2A	2.0613 x 10^6
Sample 2B	2.0856 x 10^6
Sample 3A	2.0846 x 10^6
Sample 3B	2.1156 x 10^6

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Sample number	Time shaken at ~ 30 ºC (hours)	Time equilibrated at 20 ºC (hours)	Concentration (g/L)	Mean Concentration (g/L)	Solution pH
1A	24	24	29.0	29.0	3.3
1B			28.9
2A	48	24	28.6	28.7	3.2
2B			28.9
3A	72	24	28.9	29.1	3.2
3B			29.3

Mean concentration  :         28.9 g/L at 20.0 ± 0.5 ºC

Range                       :         28.6 to 29.3 g/L

Standard Deviation   :         0.245 g/L

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 150 to 1500 mg/L. The results were satisfactory with a correlation coefficient (r) of 0.9998 being obtained.

Conclusions:

The water solubility of the test item has been determined to be 28.9 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

The general physico-chemical properties of 2-methylene-1, 3-propanediol diacetate (CAS: 3775-29-9) have been determined.

 

Water Solubility- 28.9 g/L of solution at 20.0 ± 0.5 °C, using the flask method, Method A.6 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

Description of key information

The general physico-chemical properties of 2-methylene-1, 3-propanediol diacetate (CAS: 3775-29-9) have been determined.

 

Water Solubility- 28.9 g/L of solution at 20.0 ± 0.5 °C, using the flask method, Method A.6 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

Key value for chemical safety assessment

Water solubility:

28.9 g/L

at the temperature of:

20 °C