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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:45895 -
tert
-butanol
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ChEBI Name
tert
-butanol
ChEBI ID
CHEBI:45895
ChEBI ASCII Name
tert-butanol
Definition
A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:45893, CHEBI:26877
Supplier Information
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Formula
C4H10O
Net Charge
0
Average Mass
74.12160
Monoisotopic Mass
74.07316
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
SMILES
CC(C)(C)O
Roles Classification
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
tert
-butanol (
CHEBI:45895
)
has parent hydride
isobutane (
CHEBI:30363
)
tert
-butanol (
CHEBI:45895
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
tert
-butanol (
CHEBI:45895
)
is a
tertiary alcohol (
CHEBI:26878
)
Incoming
tert
-butyl ester (
CHEBI:140402
)
has functional parent
tert
-butanol (
CHEBI:45895
)
methyl 2-[(
tert
-butoxycarbonyl)amino]-3-(2-phenoxy-6-quinolyl)acrylate (
CHEBI:48484
)
has functional parent
tert
-butanol (
CHEBI:45895
)
methyl 4-amino-
N
-(
tert
-butoxycarbonyl)phenylalaninate (
CHEBI:48493
)
has functional parent
tert
-butanol (
CHEBI:45895
)
methyl
N
-(
tert
-butoxycarbonyl)-3-(2-phenoxy-6-quinolyl)alaninate (
CHEBI:48483
)
has functional parent
tert
-butanol (
CHEBI:45895
)
methyl
N
-(
tert
-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolyl]alaninate (
CHEBI:48492
)
has functional parent
tert
-butanol (
CHEBI:45895
)
methyl
N
-(
tert
-butoxycarbonyl)-4-nitrophenylalaninate (
CHEBI:48494
)
has functional parent
tert
-butanol (
CHEBI:45895
)
IUPAC Name
2-methylpropan-2-ol
Synonyms
Sources
(CH
3
)
3
C‒OH
IUPAC
1,1-dimethylethanol
NIST Chemistry WebBook
t
-butanol
NIST Chemistry WebBook
t
-butyl alchohol
NIST Chemistry WebBook
t
-Butylalkohol
ChEBI
tert
-butanol
NIST Chemistry WebBook
tert
-butanol
UniProt
tert
-butyl alcohol
NIST Chemistry WebBook
TERTIARY-BUTYL ALCOHOL
PDBeChem
trimethylcarbinol
NIST Chemistry WebBook
trimethylmethanol
NIST Chemistry WebBook
Manual Xrefs
Databases
c0516
UM-BBD
HMDB0031456
HMDB
TBU
PDBeChem
Tert-Butyl_alcohol
Wikipedia
View more database links
Registry Numbers
Types
Sources
1833
Gmelin Registry Number
Gmelin
75-65-0
CAS Registry Number
NIST Chemistry WebBook
75-65-0
CAS Registry Number
ChemIDplus
906698
Beilstein Registry Number
Beilstein
906698
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11409007
PubMed citation
Europe PMC
11452135
PubMed citation
Europe PMC
Last Modified
09 March 2018