Registration Dossier
Registration Dossier
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EC number: 205-426-2 | CAS number: 140-66-9
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
- Executive summary:
The investigation of dissociation constant of this substance is not required because they do not have an ionisable group element.
Reference
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:
- 10.25
Additional information
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