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CHEBI:55381 - diacetone alcohol

ChEBI IDCHEBI:55381
ChEBI Namediacetone alcohol
Stars
DefinitionA β-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum.
Last Modified11 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCC(=O)CC(C)(C)O
InChIInChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKeySWXVUIWOUIDPGS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
diacetone alcohol (CHEBI:55381) has role plant metabolite (CHEBI:76924)
diacetone alcohol (CHEBI:55381) is a β-hydroxy ketone (CHEBI:55380)
Synonyms  Source
4-hydroxy-4-methylpentan-2-oneChemIDplus
4-Hydroxy-4-methyl-2-pentanoneChemIDplus
2-Methyl-2-pentanol-4-oneChemIDplus
4-Hydroxy-2-keto-4-methylpentaneChemIDplus
AcetonyldimethylcarbinolChemIDplus
DiacetonalkoholChemIDplus
Manual XrefsDatabases
HMDB0031511HMDB
Diacetone_alcoholWikipedia
Registry NumbersSources
Reaxys:1740440Reaxys
CAS:123-42-2ChemIDplus
CAS:123-42-2NIST Chemistry WebBook
Citations