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Dissociation constant

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Description of key information

According to REACH regulation - Annex IX - Chapter 7.16 - Column 2 a dissociation constant study does not need to be conducted if the substance is hydrolytically unstable at pH 4, 7 and 9 (half-life less than 12 hours). The half live rates are <2h at any measured pH in a OECD111 study (s. IUCLID chapter 5.1.2). Therefore the test could not be performed. Instead a dissociation constant with the hydrolytical product Tripropenyl succinic acid was determined.
The calculated pKa values of Tripropenyl succinic acid at 25°C are:
pKa1 (BH- + H+ ⇌ BH2): 5.14 ± 0.19
pKa2 (B-- + H+ ⇌ BH-): 4.34 ± 0.23

Key value for chemical safety assessment

pKa at 20°C:
5.14

Additional information

According to REACH regulation - Annex IX - Chapter 7.16 - Column 2 a dissociation constant study does not need to be conducted if the substance is hydrolytically unstable at pH 4, 7 and 9 (half-life less than 12 hours). The half live rates are <2h at any measured pH in a OECD111 study (s. IUCLID chapter 5.1.2). Therefore the test could not be performed. Instead a dissociation constant with the hydrolytical product Tripropenyl succinic acid was determined.

The calculated pKa values of Tripropenyl succinic acid at 25°C are:

pKa1 (BH- + H+ ⇌ BH2): 5.14 ± 0.19

pKa2 (B-- + H+ ⇌ BH-): 4.34 ± 0.23