Terminology Service for NFDI4Health
diacetone alcohol
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http://purl.obolibrary.org/obo/CHEBI_55381
A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum.
Term info
Label
diacetone alcohol
Subsets
3_STAR
charge
0
formula
C6H12O2
has obo namespace
chebi_ontology
has related synonym
Diacetonalkohol, Diacetonyl alcohol, 4-hydroxy-4-methylpentan-2-one, 2-Methyl-2-pentanol-4-one, Dimethyl acetonyl carbinol, 4-Hydroxy-2-keto-4-methylpentane, Acetonyldimethylcarbinol, 4-Hydroxy-4-methyl-2-pentanone, Diacetone-alcool
id
CHEBI:55381
inchi
InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
inchikey
SWXVUIWOUIDPGS-UHFFFAOYSA-N
mass
116.15830
monoisotopicmass
116.08373
smiles
CC(=O)CC(C)(C)O