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Physical & Chemical properties

Dissociation constant

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Description of key information

The substance hydrolysis rapidly in water and the pKa of the hydrolysis products are taken into account for assessment.
The dissociation constant for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, propoxylated and methyl 3-oxobutanoate -one typical structure of the hydrolysis product 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, propoxylated, reaction product with methyl 3-oxobutanoate- is estimated to be pKa1 of 14.43, pKa2 of 10.58 and pKa3 of 9.98 at 25°C.
The dissociation constant for the hydrolysis product 3-aminopropyldimethylamine (CAS 109-55-7) is estimated to be pKa1 of 10.13 and pKa2 of 8.25 at 25°C.

Key value for chemical safety assessment

pKa at 20°C:
8.25

Additional information

The substance is hydrolytically unstable and the pKa of the hydrolysis products are taken into account for assessment.

The dissociation constants of the hydrolysis products were estimated by ACD/pKa DB included in ACD/labs 7.00 Release. According to the estimated results, the hydrolysis product 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, propoxylated and methyl 3-oxobutanoateare and the hydrolysis product 3-aminopropyldimethylamine are present mainly as protonated form under environmentally relevant pH 5 - 9.