2,4-di-tert-butylphenol

Synonyms: "2,4-di-tert-butylphenol", "1-hydroxy-2,4-di-tert-butylbenzene", "prodox 146", "2,4-bis(tert-butyl)phenol", "2,4-ditert-butylphenol", "prodox 146A-85X", "2,4-bis(1,1-dimethylethyl)phenol", "2,4-tert-butylphenol", "2,4-ditert-butyl-phenol".

Source: 2,4-Di-tert-butylphenol is a phenolic compound present in beer and produced by a variety of plants, which has exhibited antioxidant properties.

Identifiers:

IUPAC Name: 2,4-ditert-butylphenol
CAS Number: 96-76-4
PubChem ID: 7311
InChiKey: ICKWICRCANNIBI-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

Structural Properties:

Molecular Formula: C₁₄H₂₂O
Molecular Weight: 206.329

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 15

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Satoh K, Nonaka R, Ohyama KI, Nagai F, Ogata A, Iida M. 2008. Endocrine disruptive effects of chemicals eluted from nitrite-butadiene rubber gloves using reporter gene assay systems. Biol Pharm Bull 31(3):375-379. DOI: 10.1248/bpb.31.375. URL: https://www.jstage.jst.go.jp/article/bpb/31/3/31_3_375/_article.