Results for:
PubChem ID: 12187

5-methylhexan-3-one

Mass-Spectra

Compound Details

Synonymous names	Ethylisobutylketone ethyl isobutylketone DXVYLFHTJZWTRF-UHFFFAOYSA-N Isobutyl ethyl ketone ETHYL ISOBUTYL KETONE AC1L1Z1I HMDB05841 CTK2F6303 E0249 ACMC-209n2n SCHEMBL103502 5-Methylhexan-3-one 5-Methyl-3-hexanone 2-Methyl-4-hexanone OR024970 AK113870 ZINC2034329 CHEBI:89209 A833734 DTXSID90211360 CJ-31847 ANW-34173 TL8004125 AJ-32979 ZINC02034329 LMFA12000088 MFCD00009319 DB-054139 TC-122918 KB-198035 AKOS009158853 FT-0632619 3-Hexanone, 5-methyl- 623-56-3 EINECS 210-801-9
IUPAC name	5-methylhexan-3-one
SMILES	CCC(=O)CC(C)C
Inchi	InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
Formula	C7H14O
PubChem ID	12187
Molweight	114.188
LogP	2.24
Atoms	22
Bonds	21
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Ketones

mVOC Specific Details

MS-Links

MS-MS Spectrum 169013 MS-MS Spectrum 169012 MS-MS Spectrum 48122 MS-MS Spectrum 169011 MS-MS Spectrum 48121 MS-MS Spectrum 48120

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Burkholderia Ambifaria LMG 19467 n/a clinical Groenhagen et al., 2013 Bacteria Thermomonospora Fusca DSM 43792 na soil Wilkins, 1996 Bacteria Myxobacterium Spp. n/a Schulz and Dickschat, 2007 Bacteria Stigmatella Aurantiaca n/a Schulz and Dickschat, 2007 Bacteria Stigmatella Aurantiaca DW4/3-1 n/a Dickschat et al., 2005_5 Bacteria Stigmatella Aurantiaca Sg A15 n/a Dickschat et al., 2005_5 Bacteria Thermomonospora Fusca n/a Schulz and Dickschat, 2007

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Burkholderia Ambifaria LMG 19467 Luria-Bertani medium, Malt Extract n/a Bacteria Thermomonospora Fusca DSM 43792 Nutrient agar CM3 GC/MS Bacteria Myxobacterium Spp. n/a n/a Bacteria Stigmatella Aurantiaca n/a n/a Bacteria Stigmatella Aurantiaca DW4/3-1 n/a n/a Bacteria Stigmatella Aurantiaca Sg A15 n/a n/a Bacteria Thermomonospora Fusca n/a n/a