CHEBI:35687 - butan-2-ol

Main ChEBI Ontology Automatic Xrefs
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
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)
(2R)-butan-2-ol (CHEBI:35686) is a butan-2-ol (CHEBI:35687)
(2S)-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
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
Database Links Databases
2-butanol Wikipedia
CPD-326 MetaCyc
DB02606 DrugBank
HMDB11469 HMDB
View more database links
Registry Numbers Types Sources
1686 Gmelin Registry Number Gmelin
773649 Reaxys Registry Number Reaxys
773649 Beilstein Registry Number Beilstein
78-92-2 CAS Registry Number NIST Chemistry WebBook
78-92-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18214490 PubMed citation CiteXplore
24078128 PubMed citation CiteXplore
Last Modified
04 August 2015