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CHEBI:34444 - 4-tert-butylphenol

ChEBI IDCHEBI:34444
ChEBI Name4-tert-butylphenol
Stars
ASCII Name4-tert-butylphenol
DefinitionA member of the class of phenols that is phenol substituted with a tert-butyl group at position 4.
Secondary ChEBI IDCHEBI:117047
Last Modified7 March 2019
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILESCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChIKeyQHPQWRBYOIRBIT-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
4-tert-butylphenol (CHEBI:34444) has role allergen (CHEBI:50904)
4-tert-butylphenol (CHEBI:34444) is a phenols (CHEBI:33853)
Incoming Relation(s)
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  Source
4-tert-ButylphenolKEGG COMPOUND
ButylphenKEGG COMPOUND
p-tert-ButylphenolChemIDplus
4-(1,1-Dimethylethyl)phenolChemIDplus
p-t-Butyl phenolChemIDplus
4-tert-Butyl-phenolChEMBL
Manual XrefsDatabases
C14200KEGG COMPOUND
HMDB0032063HMDB
Registry NumbersSources
Reaxys:1817334Reaxys
CAS:98-54-4KEGG COMPOUND
CAS:98-54-4ChemIDplus
CAS:98-54-4NIST Chemistry WebBook
Citations