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CHEBI:88390 - 1-hydroxybutan-2-one

ChEBI IDCHEBI:88390
ChEBI Name1-hydroxybutan-2-one
Stars
DefinitionA primary α-hydroxy ketone that is butane-1,2-diol in which the hydroxy group at position 2 has been formally oxidised to give the corresponding ketone.
Last Modified7 February 2018
DownloadsMolfile
FormulaC4H8O2
Net Charge0
Average Mass88.106
Monoisotopic Mass88.05243
SMILESCCC(=O)CO
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
InChIKeyGFAZHVHNLUBROE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-hydroxybutan-2-one (CHEBI:88390) has functional parent butan-2-one (CHEBI:28398)
1-hydroxybutan-2-one (CHEBI:88390) has functional parent butane-1,2-diol (CHEBI:52682)
1-hydroxybutan-2-one (CHEBI:88390) is a primary α-hydroxy ketone (CHEBI:139590)
IUPAC Name 
1-hydroxybutan-2-one
Synonyms  Source
ethyl hydroxymethyl ketoneChemIDplus
2-oxobutanolChemIDplus
1-hydroxy-2-butanoneChemIDplus
FEMA 3173HMDB
FEMA No. 3173ChemIDplus
UniProt Name  Source
1-hydroxy-2-butanoneUniProt
Manual XrefsDatabases
FDB008098FooDB
Registry NumbersSources
Reaxys:506105Reaxys
CAS:5077-67-8ChemIDplus
CAS:5077-67-8NIST Chemistry WebBook