Results for:
PubChem ID: 18829

4-hydroxy-3-methylbutan-2-one

Mass-Spectra

Compound Details

Synonymous names	VVSRECWZBBJOTG-UHFFFAOYSA-N VVSRECWZBBJOTG-UHFFFAOYSA- ACMC-1CNGD AC1L2CW0 AC1Q2B36 CTK4H1491 SCHEMBL422046 NSC62078 OR105850 OR035794 FCH917358 ACM3393644 CC-19462 NSC-62078 DA-06692 KB-39070 3-(Hydroxymethyl)-2-butanone C-33984 MFCD00004739 TC-168797 AI3-04080 4-HYDROXY-3-METHYL-2-BUTANONE AKOS006227961 3-methyl-4-hydroxy-2-butanone 4-Hydroxy-3-methylbutan-2-one FT-0694576 I14-99380 2-Butanone,4-hydroxy-3-methyl- 3393-64-4 EINECS 222-238-6 2-Butanone, 4-hydroxy-3-methyl- 4-Hydroxy-3-methyl-2-butanone, 65%, technical grade 2-Butanone, 4-hydroxy-3-methyl-, (+)- InChI=1/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
Microorganism:	Yes
IUPAC name	4-hydroxy-3-methylbutan-2-one
SMILES	CC(CO)C(=O)C
Inchi	InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
Formula	C5H10O2
PubChem ID	18829
Molweight	102.133
LogP	0.07
Atoms	17
Bonds	16
H-bond Acceptor	2
H-bond Donor	1
Chemical Classification	Ketones alcohols

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Tuber Simonea None None March et al., 2006 Fungi Tuber Aestivum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Brumale n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Melanosporum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Mesentericum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Miesentericum None None March et al., 2006 Fungi Tuber Rufum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al., 2006

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Tuber Simonea None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Aestivum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Brumale n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Melanosporum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Mesentericum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Miesentericum None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Rufum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS