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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-tert-butyl-4-hydroxyanisole
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 0
Average Mass 180.24350
Monoisotopic Mass 180.115
InChI InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
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.
View more via ChEBI Ontology
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)
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
Manual Xref Database
HMDB0031848 HMDB
View more database links
Registry Numbers Types Sources
121-00-6 CAS Registry Number NIST Chemistry WebBook
121-00-6 CAS Registry Number ChemIDplus
1867499 Reaxys Registry Number Reaxys
921-00-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
3201475 PubMed citation Europe PMC
4053035 PubMed citation Europe PMC
6542057 PubMed citation Europe PMC
7388831 PubMed citation Europe PMC
Last Modified
10 March 2014