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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

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dissociation constant
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
Executive summary:

The investigation of dissociation constant of this substance is not required because they do not have an ionisable group element.

Description of key information

An experimental dissociation study on 4-(1,1,3,3-tetramethylbutyl)phenol (CAS#: 140-66-9; SMILES: CC(C)(C)CC(C)(C)c1ccc(O)cc1) is not needed. The SPARC v4.6 calculation for 4-(1,1,3,3-tetramethylbutyl)phenol confirms that the substance does not significantly dissociate in the environmentally relevant pH range of 5-9. The predicted pKa is 10.25.

The SPARC predicted value is supported by the published measured (10.39 – Błędzka et al., 2009) and calculated (10.21 - Yamamoto and Liljestrand, 2004; 10.24 – Yamamoto et al., 2003; 10.33 - UNEP Publications, 1995) pKa values for 4-(1,1,3,3-tetramethylbutyl)phenol.

Key value for chemical safety assessment

pKa at 20°C:

Additional information