Results for:
PubChem ID: 12187

5-methylhexan-3-one

Mass-Spectra

Compound Details

Synonymous names	5-Methylhexan-3-one ETHYL ISOBUTYL KETONE 623-56-3 5-Methyl-3-hexanone 3-Hexanone, 5-methyl- 2-Methyl-4-hexanone Isobutyl ethyl ketone 884FC3YC2Q Ethylisobutylketone ethyl isobutylketone EINECS 210-801-9 5-methyl-hexan-3-one UNII-884FC3YC2Q SCHEMBL103502 CHEBI:89209 DTXSID90211360 LMFA12000088 MFCD00009319 AKOS009158853 BS-23403 DB-054139 CS-0205108 E0249 NS00035019 D90471 EN300-116921 A833734 Q27161395
Microorganism:	Yes
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	114.19
LogP	1.7
Atoms	8
Bonds	3
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	ketones
CHEBI-ID	89209
Supernatural-ID	SN0078396

mVOC Specific Details

Boiling Point	Degree Reference 135 median
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
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006456

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Sphingopyxis Litoris isolate from the algal Chromera velia CCAP 1602/1 Koteska et al. 2023 Prokaryota Burkholderia Ambifaria n/a clinical Groenhagen et al. 2013 Prokaryota Thermomonospora Fusca na soil Wilkins 1996 Prokaryota Myxobacterium Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Thermomonospora Fusca n/a NA Schulz and Dickschat 2007 Prokaryota Stigmatella Aurantiaca n/a NA Schulz and Dickschat 2007 Prokaryota Stigmatella Aurantiaca n/a NA Dickschat et al. 2005_5

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Sphingopyxis Litoris marine broth agar OSSA/GC-MS no Prokaryota Burkholderia Ambifaria Luria-Bertani medium, Malt Extract n/a no Prokaryota Thermomonospora Fusca Nutrient agar CM3 GC/MS no Prokaryota Myxobacterium Sp. n/a n/a no Prokaryota Thermomonospora Fusca n/a n/a no Prokaryota Stigmatella Aurantiaca n/a n/a no