Results for:
PubChem ID: 18829

4-hydroxy-3-methylbutan-2-one

Mass-Spectra

Compound Details

Synonymous names
4-HYDROXY-3-METHYL-2-BUTANONE
3393-64-4
4-Hydroxy-3-methylbutan-2-one
2-Butanone, 4-hydroxy-3-methyl-
4-Hydroxy-3-methyl-butan-2-one
3-(Hydroxymethyl)-2-butanone
MFCD00004739
2-Butanone, 4-hydroxy-3-methyl-, (+)-
EINECS 222-238-6
AI3-04080
SCHEMBL422046
VVSRECWZBBJOTG-UHFFFAOYSA-
DTXSID80871018
CHEBI:167070
NSC62078
NSC 62078
NSC-62078
AKOS006227961
AS-6244
DA-06692
SY296786
CS-0132490
NS00049948
G29751
EN300-7138115
4-Hydroxy-3-methyl-2-butanone, 65%, technical grade
InChI=1/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
Microorganism:

No

IUPAC name4-hydroxy-3-methylbutan-2-one
SMILESCC(CO)C(=O)C
InchiInChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
FormulaC5H10O2
PubChem ID18829
Molweight102.13
LogP-0.2
Atoms7
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationalcohols ketones
CHEBI-ID167070

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno