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Physical & Chemical properties

Water solubility

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Description of key information

One reliable key study is available on the registered reaction mass. The experimental values of partition coefficient were estimated at 20 ± 0.5 °C for the two main constituents, the mono-ester and the di-ester, at 123 g/l and 27.5 g/l as test item, respectively. As both constituents are very soluble, the lowest value of the di-ester limitating the solubility in water was chosen as key value for the chemical safety assessment.

Key value for chemical safety assessment

Water solubility:
27.5 g/L
at the temperature of:
20 °C

Additional information

The determination in the key study was carried out using a flask method according to Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and GLP. No deviation from the guidelines was observed during the test.

As the test item was a mixture of components with potentially different solubility characteristics, it was decided to undertake the preliminary test analytically by a simplified flask assessment. The preliminary estimate of water solubility was approximately 30.5 g/L at 20.0 °C.

For the definitive test, mixtures of test item and glass double-distilled water were added to three separate flasks. The concentration of test item in the sample solutions was determined by HPLC-MS.

        

The water solubility of the test item at 20.0 ± 0.5 °C are summarized in the following table:

 

Monoester Component, “as Test Item” Concentration
(g/L)

Monoester Component. “Definitive” Concentration, Corrected for Purity (g/L)

Diester Component, “as Test Item” Concentration
(g/L)

Diester Component. “Definitive” Concentration, Corrected for Purity (g/L)

Mean Concentration

123

52.1

27.5

14.7

As both constituents are very soluble, the lowest value of the di-ester limitating the solubility in water was chosen as key value for the chemical safety assessment.