3-tert-butyl-4-hydroxyanisole (CHEBI:76358)

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ChEBI Name	*3-tert-butyl-4-hydroxyanisole*

ChEBI ID	CHEBI:76358

ChEBI ASCII Name	3-tert-butyl-4-hydroxyanisole

Definition	An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H16O2

Net Charge

Average Mass

180.24350

Monoisotopic Mass

180.11503

InChI

InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3

InChIKey

MRBKEAMVRSLQPH-UHFFFAOYSA-N

SMILES

COc1ccc(O)c(c1)C(C)(C)C

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology
Outgoing	3-tert-butyl-4-hydroxyanisole (CHEBI:76358) has role antioxidant (CHEBI:22586) 3-tert-butyl-4-hydroxyanisole (CHEBI:76358) has role human xenobiotic metabolite (CHEBI:76967) 3-tert-butyl-4-hydroxyanisole (CHEBI:76358) is a aromatic ether (CHEBI:35618) 3-tert-butyl-4-hydroxyanisole (CHEBI:76358) is a phenols (CHEBI:33853)

Incoming	butylated hydroxyanisole (CHEBI:76359) has part 3-tert-butyl-4-hydroxyanisole (CHEBI:76358)

IUPAC Name

2-tert-butyl-4-methoxyphenol

Synonyms	Sources
2-(1,1-dimethylethyl)-4-methoxyphenol	ChemIDplus
3-(1,1-dimethylethyl)-4-hydroxyanisole	NIST Chemistry WebBook
3-BHA	ChemIDplus
3-tert-butyl-p-hydroxyanisole	NIST Chemistry WebBook
4-hydroxy-3-tert-butylanisole	ChEBI
4-methoxy-2-tert-butylphenol	ChemIDplus
4-methoxy-6-tert-butylphenol	NIST Chemistry WebBook
o-tert-butyl-p-methoxyphenol	NIST Chemistry WebBook
p-methoxy-o-tert-butylphenol	ChEBI

Last Modified

10 March 2014