CHEBI:34444 - 4-tert-butylphenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-tert-butylphenol
ChEBI ID CHEBI:34444
ChEBI ASCII Name 4-tert-butylphenol
Definition A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:117047
Supplier Information
Download Molfile XML SDF
Formula C10H14O
Net Charge 0
Average Mass 150.21756
Monoisotopic Mass 150.10447
InChI InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChIKey QHPQWRBYOIRBIT-UHFFFAOYSA-N
SMILES CC(C)(C)c1ccc(O)cc1
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-tert-butylphenol (CHEBI:34444) has role allergen (CHEBI:50904)
4-tert-butylphenol (CHEBI:34444) is a phenols (CHEBI:33853)
Incoming 2-(4-ethoxyphenyl)-2-methylpropan-1-ol (CHEBI:39350) has functional parent 4-tert-butylphenol (CHEBI:34444)
halfenprox (CHEBI:39368) has functional parent 4-tert-butylphenol (CHEBI:34444)
IUPAC Name
4-tert-butylphenol
Synonyms Sources
4-(1,1-Dimethylethyl)phenol ChemIDplus
4-tert-Butyl-phenol ChEMBL
4-tert-Butylphenol KEGG COMPOUND
Butylphen KEGG COMPOUND
p-t-Butyl phenol ChemIDplus
p-tert-Butylphenol ChemIDplus
para-tertiary-butylphenol ChEBI
PTBP ChEBI
Manual Xrefs Databases
C14200 KEGG COMPOUND
HMDB0032063 HMDB
View more database links
Registry Numbers Types Sources
1817334 Beilstein Registry Number Beilstein
1817334 Reaxys Registry Number Reaxys
98-54-4 CAS Registry Number NIST Chemistry WebBook
98-54-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24801287 PubMed citation Europe PMC
26302341 PubMed citation Europe PMC
26819047 PubMed citation Europe PMC
8462290 PubMed citation Europe PMC
Last Modified
07 March 2019