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Physical & Chemical properties

Dissociation constant

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Description of key information

pKa = 14.74. The substance does not dissociate under any conceivable environmental condition (pH4-9).

Key value for chemical safety assessment

pKa at 20°C:
14.74

Additional information

A QSAR model predicts that the dissociation constant for EC 202-228-8 will have a pKa=14.74 at 20 degrees centigrade. This implies that the substances will not dissociate under any conceivable environmental condition (taken as pH4-9).

This is further confirmed through SAR profiling of the registration substance (SMILE OCCOc1ccc2ccccc2c1) using the OECD Toolbox v3.3. The dissociation simulator developed by the Laboratory of Mathmatical Chemistry - Bourgas (adopted Toolbox v2.0 2010), predicts no dissociation at environmentally relevant pH (pH 4-9).