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Results for:
PubChem ID: 9862
6-methylhept-5-en-2-one
Mass-Spectra
Compound Details
Synonymous names
Methylheptenone
UHEPJGULSIKKTP-UHFFFAOYSA-N
Sulcatone
0VT
AC1L1TZM
ACMC-1BRGW
Heptenone, methyl-
KSC495C6F
CHEMBL46340
CTK3J5162
X5960
M0252
SCHEMBL157735
NSC66569
NSC15294
ZINC896810
HSDB 5565
C07287
AK116810
Jsp000828
BBL027733
DTXSID5021629
LP088129
LS-2930
ZB015110
STK801685
OR025066
DSSTox_CID_1629
M-7412
CHEBI:16310
NSC-66569
DSSTox_GSID_21629
CJ-04497
TRA0077074
ST2412448
AN-23441
AN-22632
NSC-15294
NSC 15294
AJ-24254
LMFA12000039
ZINC00896810
MFCD00008905
DSSTox_RID_76244
BB_NC-0183
448353S93V
DB-040945
TR-002204
AI3-05639
KB-199571
RTR-002204
W-108682
AKOS006034959
BRN 1741705
FEMA No. 2707
FT-0621226
6-methylheptan-5-ene-2-one
UNII-448353S93V
2-Oxo-6-methylhept-5-ene
2-Methyl-6-oxo-2-heptene
6-Methyl-5-heptene-2-one
I14-17859
6-METHYL-5-HEPTEN-2-ONE
6-Methyl-5-Hepten-2-One Natural
6-Methylhept-5-en-2-one
Tox21_201381
Tox21_302899
2-Methyl-2-hepten-6-one
409-02-9
110-93-0
NCGC00256420-01
NCGC00258932-01
NCGC00249039-01
MCULE-3832720881
6-Methyl-5-hepten-2-one, analytical standard
CAS-110-93-0
EINECS 203-816-7
EINECS 206-990-2
6-methyl-hept-5-en-2-one
2-methyl-hept-2-en-6-one
6-Methyl hept-5-en-2-one
132958-67-9
129085-68-3
MolPort-001-788-424
5-HEPTEN-2-ONE, 6-METHYL-
6-Methyl-5-hepten-2-one (natural)
6-Methyl-5-hepten-2-one, 99%
4-01-00-03493 (Beilstein Handbook Reference)
6-Methyl-5-hepten-2-one, natural, >=98%, FCC
6-Methyl-5-hepten-2-one, >=98%, FCC, FG
6-Methyl-5-hepten-2-one, natural, >=98.0%, FCC
Microorganism:
Yes
IUPAC name
6-methylhept-5-en-2-one
SMILES
CC(=CCCC(=O)C)C
Inchi
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
Formula
C
8
H
1
4
O
PubChem ID
9862
Molweight
126.199
LogP
2.02
Atoms
23
Bonds
22
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Alkenes
Ketones
terpenes
mVOC Specific Details
Boiling Point
Degree
Reference
173 DEG C @ 760 MM HG
Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-330
Solubility
INSOL IN WATER; SOL IN ALL PROP WITH ALCOHOL, ETHER
Literature:
Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-330
MS-Links
MS-MS Spectrum 22610
MS-MS Spectrum 21059
MS-MS Spectrum 21061
MS-MS Spectrum 22612
MS-MS Spectrum 22611
MS-MS Spectrum 21060
1D-NMR-Links
1D NMR Spectrum 4058
1D NMR Spectrum 3796
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Streptomyces
Jones et al. eLife 2017;6:e21738.
Bacteria
Calothrix Parietina PCC 6303
n/a
Hoeckelmann et al., 2004
Bacteria
Cyanobacteria
n/a
Hoeckelmann et al., 2004
Bacteria
Dinoroseobacter Shibae Strain DFL-27
n/a
Dickschat et al., 2005_4
Bacteria
Loktanella Sp. Bio-204
n/a
Dickschat et al., 2005_4
Bacteria
Myxobacterium Spp.
n/a
Dickschat et al., 2004
Bacteria
Phormidium Sp.
n/a
Hoeckelmann et al., 2004
Bacteria
Plectonema Notatum
n/a
Hoeckelmann et al., 2004
Bacteria
Plectonema Sp.
n/a
Hoeckelmann et al., 2004
Bacteria
Rivularia Sp.
n/a
Hoeckelmann et al., 2004
Bacteria
Saccharomonospora Rectivirgula DSM 43113
na
soil
Wilkins, 1996
Bacteria
Saccharomonospora Viridis DSM 43017
na
soil
Wilkins, 1996
Bacteria
Thermoactinomyces Vulgaris DSM 43016
na
soil
Wilkins, 1996
Bacteria
Tolypothrix Distorta
n/a
Hoeckelmann et al., 2004
Fungi
Fusarium Graminearum 15AcDON
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON 1001ta
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON ZFR 29
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_4
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_8
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_9
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1002t
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 11791
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1509
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 8046
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL38369
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL6394
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 15
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 37
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 51
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV 357
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 119
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 23
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 48
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_8
n/a
Busko et al., 2014
Fungi
Trichodema Pseudokoningii
n/a
Wheatley et al., 1997
Fungi
Trichodema Viride
n/a
Wheatley et al., 1997
Fungi
Trichoderma Viride
Hung et al., 2013
Fungi
Ganoderma Lucidum
na
saprophytic on deciduous trees
Ziegenbein et al., 2006
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
Streptomyces Sp. GWS-BW-H5.
n/a
Dickschat et al., 2005_2
Bacteria
Actinomycetes Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Calothrix Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Myxococcus Xanthus
n/a
Schulz and Dickschat, 2007
Bacteria
Phormidium Sp.
n/a
Schulz and Dickschat, 2007
Bacteria
Plectonema
n/a
Schulz and Dickschat, 2007
Bacteria
Rivularia Sp.
n/a
Schulz and Dickschat, 2007
Bacteria
Tolypothrix
n/a
Schulz and Dickschat, 2007
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Streptomyces
YPD agar
GCxGC-TOFMS
no
Bacteria
Calothrix Parietina PCC 6303
n/a
n/a
Bacteria
Cyanobacteria
n/a
n/a
Bacteria
Dinoroseobacter Shibae Strain DFL-27
n/a
n/a
Bacteria
Loktanella Sp. Bio-204
n/a
n/a
Bacteria
Myxobacterium Spp.
n/a
n/a
Bacteria
Phormidium Sp.
n/a
n/a
Bacteria
Plectonema Notatum
n/a
n/a
Bacteria
Plectonema Sp.
n/a
n/a
Bacteria
Rivularia Sp.
n/a
n/a
Bacteria
Saccharomonospora Rectivirgula DSM 43113
Nutrient agar CM3
GC/MS
Bacteria
Saccharomonospora Viridis DSM 43017
Nutrient agar CM3
GC/MS
Bacteria
Thermoactinomyces Vulgaris DSM 43016
Nutrient agar CM3
GC/MS
Bacteria
Tolypothrix Distorta
n/a
n/a
Fungi
Fusarium Graminearum 15AcDON
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON 1001ta
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON ZFR 29
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_4
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_9
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1002t
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 11791
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1509
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 8046
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL38369
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL6394
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 15
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 37
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 51
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV 357
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 119
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 23
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 48
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Trichodema Pseudokoningii
Malt extract
GC/MS
Fungi
Trichodema Viride
Malt extract
GC/MS
Fungi
Trichoderma Viride
Malt extract agar
Headspace volatiles collected with colomn/TD-GC-MS
Yes
Fungi
Ganoderma Lucidum
na
GC/MS
No
Bacteria
Stigmatella Aurantiaca DW4/3-1
n/a
n/a
Bacteria
Stigmatella Aurantiaca Sg A15
n/a
n/a
Bacteria
Streptomyces Sp. GWS-BW-H5.
n/a
n/a
Bacteria
Actinomycetes Spp.
n/a
n/a
Bacteria
Calothrix Spp.
n/a
n/a
Bacteria
Myxococcus Xanthus
n/a
n/a
Bacteria
Plectonema
n/a
n/a
Bacteria
Tolypothrix
n/a
n/a