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ChEBI
> Main
CHEBI:34444 - 4-
tert
-butylphenol
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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
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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
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