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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
C
7
H
1
4
O
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