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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:35687 - butan-2-ol
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ChEBI Ontology
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ChEBI Name
butan-2-ol
ChEBI ID
CHEBI:35687
Definition
A secondary alcohol that is butane substituted by a hydroxy group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C4H10O
Net Charge
0
Average Mass
74.12160
Monoisotopic Mass
74.07316
InChI
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey
BTANRVKWQNVYAZ-UHFFFAOYSA-N
SMILES
CCC(C)O
ChEBI Ontology
Outgoing
butan-2-ol (
CHEBI:35687
)
has parent hydride
butane (
CHEBI:37808
)
butan-2-ol (
CHEBI:35687
)
is a
secondary alcohol (
CHEBI:35681
)
Incoming
sec
-butyl butyrate (
CHEBI:87318
)
has functional parent
butan-2-ol (
CHEBI:35687
)
(2
R
)-butan-2-ol (
CHEBI:35686
)
is a
butan-2-ol (
CHEBI:35687
)
(2
S
)-butan-2-ol (
CHEBI:45475
)
is a
butan-2-ol (
CHEBI:35687
)
IUPAC Name
butan-2-ol
Synonyms
Sources
1-methyl-1-propanol
ChemIDplus
1-methylpropyl alcohol
NIST Chemistry WebBook
2-butanol
NIST Chemistry WebBook
2-butyl alcohol
ChemIDplus
2-hydroxybutane
ChemIDplus
butan-2-ol
UniProt
butanol-2
NIST Chemistry WebBook
methylethylcarbinol
ChemIDplus
s
-butyl alcohol
NIST Chemistry WebBook
s
-Butylalkohol
ChEBI
sec
-butanol
NIST Chemistry WebBook
sec
-butyl alcohol
NIST Chemistry WebBook
Manual Xrefs
Databases
2-butanol
Wikipedia
CPD-326
MetaCyc
DB02606
DrugBank
HMDB0011469
HMDB
View more database links
Registry Numbers
Types
Sources
1686
Gmelin Registry Number
Gmelin
773649
Beilstein Registry Number
Beilstein
773649
Reaxys Registry Number
Reaxys
78-92-2
CAS Registry Number
ChemIDplus
78-92-2
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
18214490
PubMed citation
Europe PMC
24078128
PubMed citation
Europe PMC
Last Modified
09 July 2020