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Physical & Chemical properties

Dissociation constant

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Description of key information

The predicted pKa value is outside the pH range 0 to 13, considered relevant to the general assessment of potential dissociation of the test item in water.

Key value for chemical safety assessment

pKa at 20°C:
15

Additional information

A computer estimation for the dissociation constant in water of Cis-hex-3-en-1-ol (LFA) was produced using the I-Lab 2.0 prediction software from Advanced Chemistry Development Inc. The predicted pKa was 15 for the alcohol functional group. The value is outside the environmentally relevant pH range of 0 to 13.

Experimental testing according to Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981, was considered not applicable due to the extremely high pKa estimated, which surpasses the pH values that can be accurately determined with a glass electrode.