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Physical & Chemical properties

Dissociation constant

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Description of key information

The pKa of 2-methyl-1-heptanol is predicted to be 15.8 using a reliable freely-available method (read-across from a structural analogue, the linear isomer octan-1-ol).

Key value for chemical safety assessment

pKa at 20°C:
15.8

Additional information

No measured data for dissociation constant of 2-methyl-1-heptanol were available. The pKa value (normal conditions) was predicted using SPARC for a structural analogue, the linear isomer octan-1-ol. While the hydroxyl group is ionisable, aliphatic alcohols are extremely weak acids and only dissociate under strongly basic conditions. In the range of pH usually considered relevant to the human body and environment, i.e. pH 2-9, 2-methyl-1-heptanol will be non-ionised. There is no need to conduct further testing.