Results for:
PubChem ID: 9862

6-methylhept-5-en-2-one

Mass-Spectra

Compound Details

Synonymous names
6-METHYL-5-HEPTEN-2-ONE
6-Methylhept-5-en-2-one
110-93-0
Sulcatone
METHYL HEPTENONE
2-Methyl-2-hepten-6-one
5-HEPTEN-2-ONE, 6-METHYL-
6-Methyl-5-heptene-2-one
2-Oxo-6-methylhept-5-ene
Heptenone, methyl-
2-Methyl-6-oxo-2-heptene
prenylacetone
FEMA No. 2707
NSC 15294
6-methyl-hept-5-en-2-one
409-02-9
6-Methyl-hepten-2-one
6-Methyl hept-5-en-2-one
6-methylheptan-5-ene-2-one
DTXSID5021629
CHEBI:16310
NSC66569
MFCD00008905
NSC-15294
448353S93V
DTXCID501629
CAS-110-93-0
EINECS 203-816-7
6-Methyl-5-hepten-2-one (natural)
BRN 1741705
Isoprenylacetone
AI3-05639
UNII-448353S93V
filbert heptenone B
LAUROYLCOENZYMEA
2-Methyl-6-heptenone
6-methyl-5-hepten-2-on
EC 203-816-7
2-methylhept-2-en-6-one
2-methyl-hept-2-en-6-one
5-hepten-2-one, 6-methyl
4-01-00-03493 (Beilstein Handbook Reference)
CHEMBL46340
SCHEMBL157735
FEMA 2707
HSDB 5565
2-METHYL-2-HEPTENE-6-ONE
6-METHYL-5-HEPTANE-2-ONE
6-Methyl-5-hepten-2-one, 99%
NSC15294
EINECS 206-990-2
Tox21_201381
Tox21_302899
6-METHYL-5-HEPTEN-2-KETONE
BBL027733
LMFA12000039
NSC-66569
STK801685
2-METHYL-2-HEPTENE-6-KETONE
AKOS006034959
METHYL-5-HEPTEN-2-ONE, 6-
CS-W011151
FS-3837
HY-W010435
MCULE-3832720881
Sulcatone (6-Methylhept-5-en-2-one)
NCGC00249039-01
NCGC00256420-01
NCGC00258932-01
6-METHYL--5-HEPTEN-2-ONE [FCC]
6-METHYL-5-HEPTANE-2-ONE [FHFI]
DB-040945
M0252
NS00009133
6-Methyl-5-hepten-2-one, analytical standard
EN300-96127
C07287
D77716
6-Methyl-5-hepten-2-one, >=98%, FCC, FG
6-Methyl-5-hepten-2-one, natural, >=98%, FCC
Q3209146
W-108682
6-Methyl-5-hepten-2-one, natural, >=98.0%, FCC
0VT
Microorganism:

Yes

IUPAC name6-methylhept-5-en-2-one
SMILESCC(=CCCC(=O)C)C
InchiInChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
FormulaC8H14O
PubChem ID9862
Molweight126.2
LogP1.9
Atoms9
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones
CHEBI-ID16310
Supernatural-IDSN0370375

mVOC Specific Details

Boiling Point
DegreeReference
173 DEG C @ 760 MM HGWeast, 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
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
EukaryotaPythium OligandrumStrong inhibition of growth of plant pathogen Pythium myriotylum;Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.Sheikh et al. 2023
EukaryotaCandida AlbicansNAKarami et al. 2017
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
EukaryotaTrichoderma VirideNAHung et al. 2013
ProkaryotaStreptomyces Sp.NAJones et al. 2017
ProkaryotaMyxobacterium Sp.n/aNADickschat et al. 2004
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
ProkaryotaDinoroseobacter Shibaen/aNADickschat et al. 2005_4
ProkaryotaCyanobacteria Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaCalothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaPlectonema Notatumn/aNAHoeckelmann et al. 2004
ProkaryotaPlectonema Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaPhormidium Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaTolypothrix Distortan/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp.n/aNAHoeckelmann et al. 2004
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
ProkaryotaSaccharomonospora RectivirgulanasoilWilkins 1996
ProkaryotaSaccharomonospora ViridisnasoilWilkins 1996
ProkaryotaThermoactinomyces VulgarisnasoilWilkins 1996
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaCalothrix Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPlectonema Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPhormidium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaRivularia Sp.n/aNASchulz and Dickschat 2007
ProkaryotaTolypothrix Sp.n/aNASchulz and Dickschat 2007
ProkaryotaActinomycetes Sp.n/aNASchulz and Dickschat 2007
ProkaryotaMyxococcus Xanthusn/aNASchulz and Dickschat 2007
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian alendronate supp.SPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSyes
EukaryotaCandida AlbicansMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaStaphylococcus AureusLB mediaHS-SPME/GC×GC-TOFMSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaCalothrix Parietinan/an/ano
ProkaryotaPlectonema Notatumn/an/ano
ProkaryotaPlectonema Sp.n/an/ano
ProkaryotaPhormidium Sp.n/an/ano
ProkaryotaTolypothrix Distortan/an/ano
ProkaryotaRivularia Sp.n/an/ano
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTrichoderma VirideMalt extractGC/MSno
EukaryotaTrichoderma PseudokoningiiMalt extractGC/MSno
ProkaryotaSaccharomonospora RectivirgulaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora ViridisNutrient agar CM3GC/MSno
ProkaryotaThermoactinomyces VulgarisNutrient agar CM3GC/MSno
EukaryotaGanoderma LucidumnaGC/MSno
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaCalothrix Sp.n/an/ano
ProkaryotaTolypothrix Sp.n/an/ano
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaMyxococcus Xanthusn/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno