Results for:
Species: Penicillium expansum

(2S,4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene

Compound Details

Synonymous names
Dihydroedulan I
IVTQSEFLDHBCDZ-DMDPSCGWSA-N
Q67879843
Microorganism:

No

IUPAC name(2S,4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene
SMILESCC1CCC2C(CC=CC2(O1)C)(C)C
InchiInChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11+,13+/m0/s1
FormulaC13H22O
PubChem ID91746670
Molweight194.31
LogP3.4
Atoms14
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationethers heterocyclic compounds terpenes
Supernatural-IDSN0156555-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPenicillium Expansumn/aNAFischer et al. 1999
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Expansumyeast extract sucrose agarn/ano


2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol

Compound Details

Synonymous names
Elemol
639-99-6
ALPHA-ELEMOL
2-[(1r,3s,4s)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-ol
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
L92AJ7G06I
.alpha.-Elemol
.beta.-Elemol
2-((1R,3S,4S)-4-Methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)propan-2-ol
(1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol
UNII-L92AJ7G06I
2-[(1R,3S,4S)-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl]propan-2-ol
Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-
EINECS 211-360-5
AI3-00210
SCHEMBL310097
ELEMOL, (-)-
CHEMBL2287241
DTXSID1052323
CHEBI:141221
AKOS040751670
Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-
NS00012345
Q27282855
(1R,3S,4S)-4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)cyclohexanemethanol
Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-
1R,1alpha,3alpha,4beta-4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)cyclohexanemethanol
4-ETHENYL-.ALPHA.,.ALPHA.,4-TRIMETHYL-3-(1-METHYLETHENYL)-(1R-(1.ALPHA.,3.ALPHA.,4.BETA.))-CYCLOHEXANEMETHANOL
Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-
Microorganism:

No

IUPAC name2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
SMILESCC(=C)C1CC(CCC1(C)C=C)C(C)(C)O
InchiInChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
FormulaC15H26O
PubChem ID92138
Molweight222.37
LogP4.4
Atoms16
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID141221
Supernatural-IDSN0104219-08

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPenicillium Expansumcompost Fischer et al. 1999
EukaryotaPenicillium Glabrumcompost Fischer et al. 1999
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Expansumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Glabrumyest extract sucroseTenax/GC-MSno


(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

Compound Details

Synonymous names
GEOSMIN
19700-21-1
(-)-geosmin
Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol
MYW912WXJ4
CHEBI:46702
trans-1,10-dimethyl-trans-decalol
(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol
(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
trans-1,10-Dimethyl-trans-9-decalol
(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-
(4S,4aS,8aR)-4,8a-dimethyl-decahydronaphthalen-4a-ol
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-
(+/-)-Geosmin
1,10-Dimethyl-9-decalol
EINECS 243-239-8
UNII-MYW912WXJ4
rac Geosmin
4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #
4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol
GEOSMIN [MI]
4,8A-DIMETHYLOCTAHYDRONAPHTHALEN-4A(2H)-OL
39 - Geosmin and MIB
SCHEMBL50009
4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-
CHEMBL2374043
FEMA NO. 4682
(4S,4aS,8aR)-Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol
4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-
DTXSID801024112
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-
NCGC00165950-01
(+/-)-Geosmin 10 microg/mL in Methanol
(+/-)-Geosmin 100 microg/mL in Methanol
NS00122563
Q420233
Microorganism:

Yes

IUPAC name(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SMILESCC1CCCC2(C1(CCCC2)O)C
InchiInChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1
FormulaC12H22O
PubChem ID29746
Molweight182.3
LogP3.3
Atoms13
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID46702
Supernatural-IDSN0168756-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus ClavatusNADickschat et al. 2018
EukaryotaPenicillium DiscolorNASchnürer et al. 1999
EukaryotaPenicillium ExpansumNASchnürer et al. 1999
ProkaryotaStreptomyces Sp.antifungal activity against Colletotrichum gloeosporioides (growth and spore inhibition)coral reef of Old Providence and Santa Catalina Islands, Colombian, Caribbean SeaGómez et al. 2021
ProkaryotaStreptomyces Salmoniscontrol of postharvest anthracnose disease of chili caused by Colletotrichum gloeosporioides PSU-03Phitsanulok Seed Research and Development Center, Department of Agriculture, Ministry of Agriculture and Cooperatives, ThailanBoukaew et al. 2021
ProkaryotaMyxococcus Xanthusstrongly altered movement of Caenorhabditis elegansLeibniz Institute DSMZ-German Collection of Microorganisms and Cell CulturesZaroubi et al. 2022
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
ProkaryotaStreptomyces GriseusNARiu et al. 2022
ProkaryotaMyxobacterium Sp.n/aNADickschat et al. 2007
ProkaryotaActinomycetes Sp.n/aNADickschat et al. 2007
ProkaryotaCyanobacteria Sp.n/aNADickschat et al. 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
ProkaryotaStreptomyces Griseusn/aNANawrath et al. 2008
ProkaryotaMyxococcus Xanthusn/aNANawrath et al. 2008
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Rishiriensisn/aNASchöller et al. 2002
ProkaryotaStreptomyces Albusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Aureofaciensn/aNASchöller et al. 2002
ProkaryotaStreptomyces Coelicolorn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Olivaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
EukaryotaPenicillium Expansumn/aNAMattheis and Roberts 1992
ProkaryotaActinobacteria Sp.n/aNAStahl and Parkin 1976
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
ProkaryotaCyanobacteria Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaCalothrix Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp./Calothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaPhormidium Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaCalothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaAnabaena Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCalothrix Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLyngbya Sp.n/aNASchulz and Dickschat 2007
ProkaryotaOscillatoria Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Citreusn/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaMyxococcus Xanthusn/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Antibioticusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sulphureusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Griseusn/aNADickschat et al. 2005
ProkaryotaStreptomyces Coelicolorn/aNADickschat et al. 2005
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaMyxobacterium Sp.n/aNADickschat et al. 2004
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
ProkaryotaStreptomyces GriseusNAGerber and Lechevalier 1965
EukaryotaAspergillus NigerNAPriegnitz et al. 2015
EukaryotaPenicillium Sp.NALarsen and Frisvad 1995
EukaryotaChaetomium GlobosumNAKikuchi et al. 1983
ProkaryotaStreptomyces GriseusnanaGerber and Lechevalier 1965
ProkaryotaStreptomyces AntibioticusnanaGerber and Lechevalier 1965
ProkaryotaStreptomyces FradiaenanaGerber and Lechevalier 1965
ProkaryotaStreptomyces OdorifernanaGerber and Lechevalier 1965
ProkaryotaStreptomyces GriseusnasoilWilkins 1996
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Clavatusmedium 129CLSA-GCMSno
EukaryotaPenicillium Discolormalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
EukaryotaPenicillium Expansummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaStreptomyces Sp.ISP2 (International Streptomyces Project) mediaGS-MSno
ProkaryotaStreptomyces SalmonisGYM agarSPME/GC-MSno
ProkaryotaMyxococcus Xanthus1 % CTT mediaGC-MSyes
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSyes
ProkaryotaStreptomyces GriseusTSA media, sterile soilSPME/GC-MSno
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaMyxococcus Xanthusn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaStreptomyces AlbidoflavusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces Sp.Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces RishiriensisEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AlbusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AntibioticusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AureofaciensEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces CoelicolorEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces DiastatochromogenesEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces GriseusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HirsutusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HygroscopicusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces MurinusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces OlivaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces ThermoviolaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
EukaryotaPenicillium Expansumn/an/ano
ProkaryotaActinobacteria Sp.n/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaCalothrix Sp.n/an/ano
ProkaryotaRivularia Sp.n/an/ano
ProkaryotaRivularia Sp./Calothrix Parietinan/an/ano
ProkaryotaPhormidium Sp.n/an/ano
ProkaryotaCalothrix Parietinan/an/ano
ProkaryotaAnabaena Sp.n/an/ano
ProkaryotaLyngbya Sp.n/an/ano
ProkaryotaOscillatoria Sp.n/an/ano
ProkaryotaStreptomyces Albusn/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaStreptomyces Citreusn/an/ano
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Sulphureusn/an/ano
ProkaryotaStreptomyces Coelicolorn/an/ano
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
ProkaryotaStreptomyces Griseusno
EukaryotaAspergillus Nigerno
EukaryotaPenicillium Sp.no
EukaryotaChaetomium Globosumno
ProkaryotaStreptomyces GriseusYD + CaCO3/SBM/Pablum GCno
ProkaryotaStreptomyces AntibioticusSBM/Pablum GCno
ProkaryotaStreptomyces AntibioticusPablumGCno
ProkaryotaStreptomyces FradiaePablumGCno
ProkaryotaStreptomyces FradiaeSBM Pablum GCno
ProkaryotaStreptomyces OdoriferYD + CaCO3/SBM/Pablum GCno
ProkaryotaStreptomyces GriseusNutrient agar CM3GC/MSno
EukaryotaPenicillium CommuneDG18,MEAGC/MSno
EukaryotaPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno


1-methoxy-3-methylbenzene

Mass-Spectra

Compound Details

Synonymous names
3-Methylanisole
100-84-5
1-Methoxy-3-methylbenzene
3-Methoxytoluene
m-Methylanisole
Benzene, 1-methoxy-3-methyl-
m-Cresol methyl ether
M-METHOXYTOLUENE
Anisole, m-methyl-
Methyl m-tolyl ether
m-Cresyl methyl ether
Methyl m-cresyl ether
3-Methylmethoxybenzene
Methyl 3-methylphenyl ether
1-Methyl-3-methoxybenzene
1-Methoxy-3-methyl-benzene
3-Methyl-1-methoxybenzene
NSC 6255
3-Cresol methyl ether
UI9I3Y6WTZ
CHEMBL349791
NSC-6255
META-CRESOL DEUTEROMETHYL ETHER
EINECS 202-893-4
UNII-UI9I3Y6WTZ
AI3-19476
m-Methyl anisole
3-methyl anisole
Meta-Methylanisole
3-methoxy toluene
3-Methylanisole, 99%
META METHOXYTOLUENE
SCHEMBL12353
DTXSID2051500
SCHEMBL12015250
AMY5179
NSC6255
CHEBI:167079
STR09347
BDBM50008537
MFCD00008395
AKOS000121157
MCULE-7649681864
DB-012728
CS-0034591
M0151
NS00005982
EN300-26366
H11854
A800280
W-108936
Q27291091
Z53834440
F0001-0028
InChI=1/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H
Microorganism:

No

IUPAC name1-methoxy-3-methylbenzene
SMILESCC1=CC(=CC=C1)OC
InchiInChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
FormulaC8H10O
PubChem ID7530
Molweight122.16
LogP2.7
Atoms9
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers benzenoids
CHEBI-ID167079
Supernatural-IDSN0273963

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaAspergillus Candiduscompost Fischer et al. 1999
EukaryotaPenicillium Expansumcompost Fischer et al. 1999
EukaryotaTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaPenicillium CommuneNANilsson et al. 1996
EukaryotaAspergillus ClavatusNASeifert and King 1982
EukaryotaPenicillium ExpansumNAAzeem et al. 2013
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaAmpelomyces Sp.nanaNaznin et al. 2014
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/an/ano
EukaryotaAspergillus Candidusyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Expansumyest extract sucroseTenax/GC-MSno
EukaryotaTuber Borchiiyes
EukaryotaPenicillium Communeno
EukaryotaAspergillus Clavatusno
EukaryotaPenicillium Expansumyes
EukaryotaPenicillium CommuneMEAGC/MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaAmpelomyces Sp.naSPME-GC/MSno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno


Compound Details

Synonymous names
STYRENE
Ethenylbenzene
100-42-5
Vinylbenzene
Phenylethylene
Styrol
Benzene, ethenyl-
Cinnamene
Phenylethene
Styrolene
Phenethylene
Styrene monomer
9003-53-6
Vinylbenzol
Vinyl benzene
Styropol SO
Styren
Styrole
Benzene, vinyl-
Ethylene, phenyl-
Vinylbenzen
Stirolo
Styreen
Cinnamenol
Cinnamol
Vinyl-benzene
Bulstren K-525-19
Annamene
NCI-C02200
FEMA No. 3233
FEMA Number 3234
Styrol [German]
CCRIS 564
NSC 62785
Cinnaminol
HSDB 171
EINECS 202-851-5
UNII-44LJ2U959V
25086-18-4
DTXSID2021284
CHEBI:27452
AI3-24374
MAOMIN SM
44LJ2U959V
trans-Styrene-(beta)-d
NSC-62785
STYRENE-ALPHA-13C
STYRENE-BETA,BETA-D2
DTXCID501284
Benzene, (1Z)-ethenyl-2-d-
Styrol (German)
EC 202-851-5
TTB 7302
MFCD00084450
Styrene-d5(StabilizedwithHydroquinone)
12770-88-6
Diarex hf 77
NCGC00091056-01
STYRENE-ALPHA,2,3,4,5,6-D6
STYRENE (IARC)
STYRENE [IARC]
Styreen [Dutch]
Styren [Czech]
Styrene, analytical standard
Stirolo [Italian]
Benzene-d5, ethenyl-d3-
Vinylbenzen [Czech]
Vinylbenzen [Dutch]
6911-81-5
Styron
Styrene 100 microg/mL in Methanol
MFCD00008612
styrene, monomer
Monomer, Styrene
MFCD00044231
Styrene (monomer)
CAS-100-42-5
COLESTYRAMINE IMPURITY A (EP IMPURITY)
COLESTYRAMINE IMPURITY A [EP IMPURITY]
Vinylbenzene, inhibited
Phenylethylene, inhibited
UN2055
Styrene monomer, inhibited
ethenyl-benzene
phenyl-ethylene
p-vinyl benzene
Styron (Salt/Mix)
Ethenylbenzene, 9CI
Styropol (Salt/Mix)
Styropor (Salt/Mix)
PhCH=CH2
STYRENE [HSDB]
STYRENE [INCI]
Styrene, >=99%
STYRENE [MI]
Diarex hf 77 (Salt/Mix)
UN 2055 (Salt/Mix)
WLN: 1U1R
BIDD:ER0247
CHEMBL285235
NSC62785
Styrene, ReagentPlus(R), 99.9%
Tox21_113245
Tox21_200808
STL283958
Styrene 2000 microg/mL in Methanol
Styrene 5000 microg/mL in Methanol
AKOS000119972
MCULE-4715354738
Styrene, SAJ first grade, >=99.0%
NCGC00091056-02
NCGC00091056-03
NCGC00091056-04
NCGC00091056-05
NCGC00258362-01
BP-13451
SY061549
Styrene Solution 0.0001 Wt% in Toluene
DB-244813
diameter 0.05 - 0.1um ,2.5% w/v
NS00010820
S0651
EN300-19671
C07083
C19506
Q28917
Styrene (stabilized with 4-tert-Butylcatechol)
A800199
Styrene, 99.5% stab. with 4-tert-Butylcatechol
Styrene contains 4-tert-Butylcatechol as stabilizer
F1908-0130
Z104474664
Styrene monomer, inhibited [UN2055] [Flammable liquid]
InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H
Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%
98444-30-5
Microorganism:

Yes

IUPAC namestyrene
SMILESC=CC1=CC=CC=C1
InchiInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
FormulaC8H8
PubChem ID7501
Molweight104.15
LogP2.9
Atoms8
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds
CHEBI-ID27452
Supernatural-IDSN0291411

mVOC Specific Details

Boiling Point
DegreeReference
145.3 °C peer reviewed
Volatilization
The Henry's Law constant for styrene is reported as 2.75X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that styrene is expected to volatilize from water surfaces(2). Under laboratory conditions, 50% of 2 to 10 mg styrene per liter (depth not specified) was lost by volatilization in 1 to 3 hrs in lake water samples and in 6 to 7 hrs in distilled water, respectively(3). In other studies, the level of styrene in water samples fell from 23 to 3.3 and 0.4 mg/L in 2 hrs and 7 days, respectively, and from 46 to 12.5 and 1.5 mg/L in 2 hrs and 10 days, respectively(4). These findings are relevant to surface waters but not to deeper waters(4). The volatilization half-life of styrene in Rhine River water was 14 days(5). Volatilization of styrene from moist soil surfaces would be slower than in water(4). Samples at 1.5 cm deep of a loamy soil, 26% of 2 mg/kg styrene added volatilized in 31 days(3). The transfer to the air was even slower and less extensive from deep soil(4). The potential for volatilization of styrene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 6.4 mm Hg(6).
Literature: (1) Bocek K; Experimetia, Suppl 23: 231-40 (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Fu MH, Alexander M; Environ Sci Technol 26: 1540-4 (1992) (4) Alexander M; Crit Rev Env Sci Technol 27: 383-410 (1997) (5) Zoeteman BCJ et al; Chemosphere 9: 231-49 (1980) (6) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Soil Adsorption
The log Koc of styrene is reported to be 2.96(1). According to a classification scheme(2), this Koc value suggests that styrene is expected to have low mobility in soil. More than 85% of styrene is sorbed in 78 hrs on samples from a sandy aquifer(3). Styrene is retained by particulates particularly in organic matter-rich soils(3). Of styrene that had been allowed to sorb for 3 days, 61.0 and 66.7% was desorbed in 16 days from soil and aquifer soils, respectively(4).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Fu MH, Alexander M; Environ Sci Technol 26: 1540-4 (1992) (4) Fu MH et al; Environ Toxicol Chem 13: 749-53 (1994)
Vapor Pressure
PressureReference
6.40 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
EukaryotaAspergillus FumigatusNANAAhmed et al. 2018
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
EukaryotaFusarium Acuminatumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaFusarium Oxysporumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
ProkaryotaBacillus Cereusisolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaPaecilomyces Variotiicompost Fischer et al. 1999
EukaryotaPenicillium Brevicompactumcompost Fischer et al. 1999
EukaryotaPenicillium Clavigerumcompost Fischer et al. 1999
EukaryotaPenicillium Expansumcompost Fischer et al. 1999
EukaryotaPenicillium Glabrumcompost Fischer et al. 1999
EukaryotaPenicillium Crustosumcompost Fischer et al. 1999
EukaryotaAntrodia CinnamomeananaLu et al. 2014
EukaryotaPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al. 2012
ProkaryotaPseudomonas Aeruginosacan be used as biomarker for detection of this bacteriaNAYusuf et al. 2015
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis 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
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
Kluyveromyces MarxianusJi et al. 2024
Staphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
EukaryotaAspergillus FumigatusAMMTD/GC-MSno
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSyes
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Expansumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Glabrumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Crustosumyest extract sucroseTenax/GC-MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
EukaryotaPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
ProkaryotaPseudomonas Aeruginosablood agar base (TSBA)SPME/GC-MS no
ProkaryotaPseudomonas Sp.nutrient agar (NA)GC–MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF 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 KudriavzeviiYPD-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
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
Staphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


1-methyl-4-(6-methylhept-5-en-2-yl)benzene

Mass-Spectra

Compound Details

Synonymous names
alpha-Curcumene
Curcumene
644-30-4
1-methyl-4-(6-methylhept-5-en-2-yl)benzene
2-Methyl-6-p-tolyl-2-heptene
1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene
aryl-curcumene
alpha-Cucurmene
Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-
2-Heptene, 2-methyl-6-p-tolyl-
aromatic curcumene
.alpha.-Curcumene
S24T013WOF
|A-curcumene
UNII-S24T013WOF
??-curcumene
Curcumene
CHEMBL4210821
CHEBI:62757
DTXSID90862351
HY-N9691
(+/-)-.ALPHA.-CURCUMENE
AKOS040763717
1ST15463
CS-0202834
NS00126041
1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene #
1-(1,5-dimethyl-hex-4-enyl)-4-methyl-benzene
Q27132148
Microorganism:

Yes

IUPAC name1-methyl-4-(6-methylhept-5-en-2-yl)benzene
SMILESCC1=CC=C(C=C1)C(C)CCC=C(C)C
InchiInChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3
FormulaC15H22
PubChem ID92139
Molweight202.33
LogP5.4
Atoms15
Bonds4
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids terpenes aromatic compounds
CHEBI-ID62757
Supernatural-IDSN0394643

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
EukaryotaTrichoderma Asperellumreduce downy mildew severity on Vitis vinifera (grapevine plants)Cotxarrera et al., 2002Lazazzara et al. 2021
EukaryotaTrichoderma Atroviridereduce downy mildew severity on Vitis vinifera (grapevine plants)Pertot et al., 2008Lazazzara et al. 2021
EukaryotaTrichoderma Harzianumreduce downy mildew severity on Vitis vinifera (grapevine plants)Eladet al., 1997Lazazzara et al. 2021
EukaryotaTrichoderma Harzianumn/aNAZhang et al. 2014
EukaryotaTrichoderma AtrovirideNAStoppacher et al. 2010
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaTrichoderma Viriden/aNAMueller et al. 2013
EukaryotaAspergillus Versicolorcompost Fischer et al. 1999
EukaryotaPenicillium Expansumcompost Fischer et al. 1999
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Kluyveromyces MarxianusJi et al. 2024
Saccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian FE supp.SPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaTrichoderma AsperellumPDA mediaHS-SPME/GC-MSno
EukaryotaTrichoderma AtroviridePDA mediaHS-SPME/GC-MSno
EukaryotaTrichoderma HarzianumPDA mediaHS-SPME/GC-MSno
EukaryotaTrichoderma HarzianumMinimal mediaSPME/GC-MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaAspergillus Versicoloryest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Expansumyest extract sucroseTenax/GC-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
Saccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


Octan-3-yl Acetate

Mass-Spectra

Compound Details

Synonymous names
3-Octyl acetate
3-Octanol, acetate
4864-61-3
octan-3-yl acetate
3-Octanol acetate
Oct-3-yl ethanoate
Amyl ethyl carbinyl acetate
1-Ethyl hexyl acetate
3-Octanol, 3-acetate
FEMA No. 3583
3-Octyl acetate (natural)
UNII-8M41FR2J6W
(+/-)-3-Octyl acetate
8M41FR2J6W
3-OCTANYL ACETATE
3-OCTYLACETATE
EINECS 225-471-1
Octan-3-ol acetate
ethyl acetate=n-hexane
3-ACETOXYOCTANE
(+)-3-octyl acetate
1-Ethylhexyl acetate #
SCHEMBL112743
3-OCTYL ACETATE [FCC]
3-OCTYL ACETATE [FHFI]
Acetic acid, 1-ethylhexyl ester
FEMA 3583
DTXSID30863463
(+/-)-3-ACETOXYOCTANE
CHEBI:179545
3-OCTYL ACETATE, (+/-)-
3-Octyl acetate, >=98%, FCC, FG
NS00045125
3-Octyl acetate, natural (US), >=97%, FG
Q27270741
Microorganism:

No

IUPAC nameoctan-3-yl acetate
SMILESCCCCCC(CC)OC(=O)C
InchiInChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
FormulaC10H20O2
PubChem ID521238
Molweight172.26
LogP3.4
Atoms12
Bonds7
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID179545
Supernatural-IDSN0355317

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaChaetomium IndicumNAMoisan et al. 2021
EukaryotaPenicillium Expansumn/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaChaetomium Indicum1/5th PDA mediumGC-MSno
EukaryotaPenicillium Expansumwett wall papern/ano


1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

Mass-Spectra

Compound Details

Synonymous names
Aromadendrene
Alloaromadendrene
(-)-Aromadendrene
1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene
25246-27-9
1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Alloaromadedrene
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7R,7aR,7bS)-(+)-
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-
109119-91-7
(-)-10(14)-Aromadendrene
Aromandendrene
b-Diploalbicene
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aS,7R,7aR,7bS)-(-)-
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]-
Aromadendrene, (+)-
Aromadendr-7(15)-ene
DTXSID40881274
(1aR,4aR,7R,7aR,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene
CHEBI:145743
ITYNGVSTWVVPIC-UHFFFAOYSA-N
1H-Cycloprop(e)azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4abeta,7alpha,7abeta,7balpha))-
NS00042408
1,1,7-trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulene
1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene-, [1aR-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-
Microorganism:

Yes

IUPAC name1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
SMILESCC1CCC2C1C3C(C3(C)C)CCC2=C
InchiInChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3
FormulaC15H24
PubChem ID91354
Molweight204.35
LogP4.7
Atoms15
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes
CHEBI-ID145743
Supernatural-IDSN0155260

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
EukaryotaTrichoderma VirideNAHung et al. 2013
EukaryotaPenicillium Expansumcompost Fischer et al. 1999
EukaryotaAntrodia CinnamomeananaLu et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
EukaryotaPenicillium Expansumyest extract sucroseTenax/GC-MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes


(3R,3aS,5aR,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

Compound Details

Synonymous names
Sesquiterpenes
Microorganism:

No

IUPAC name(3R,3aS,5aR,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
SMILESCC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C
InchiInChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13-,15-/m1/s1
FormulaC15H18O3
PubChem ID667450
Molweight246.3
LogP2.3
Atoms18
Bonds0
H-bond Acceptor3
H-bond Donor0
Chemical Classificationterpenes
CHEBI-ID35189
Supernatural-IDSN0431706-03

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
EukaryotaCladosporium Cladosporioidesn/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al. 2008
EukaryotaPenicillium Expansumn/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al. 2008
EukaryotaAspergillus Fumigatusn/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al. 2008
EukaryotaAspergillus Versicolorn/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al. 2008
EukaryotaPenicillium Chrysogenumn/aLandes-Gesundheitsamt Stuttgart, GermanyMatysik et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
EukaryotaCladosporium Cladosporioideswett wall papern/ano
EukaryotaPenicillium Expansumwett wall papern/ano
EukaryotaAspergillus Fumigatuswett wall papern/ano
EukaryotaAspergillus VersicolorDG 18 agar (dichloran chloramphenicol) n/ano
EukaryotaPenicillium ChrysogenumDG 18 agar (dichloran chloramphenicol) n/ano


(1E,5E)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene

Mass-Spectra

Compound Details

Synonymous names
Germacrene B
(E,E)-germacrene B
(1E,4E)-germacrene B
15423-57-1
Germacra-1(10),4,7(11)-triene
CHEBI:5337
(1E,5E)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene
Germacra-1(10),4,7(11)-triene, (E,E)-
(1E,5E)-1,5-dimethyl-8-(propan-2-ylidene)cyclodeca-1,5-diene
1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethylidene)-, (1E,5E)-
trans,trans-germacrene B
ML9S6L9M3X
1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethylidene)-, (E,E)-
(E,E)-germacra-1(10),4,7(11)-triene
(1E,4E)-germacra-1(10),4,7(11)-triene
1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene
(1E,5E)-8-isopropylidene-1,5-dimethylcyclodeca-1,5-diene
CHEMBL448125
GXEGJTGWYVZSNR-LBJJKJHXSA-N
GXEGJTGWYVZSNR-SJRHNVSNSA-N
DTXSID701037033
LMPR0103090007
C09672
Q27106722
1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene #
(E,E)-1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene
(1E,5E)-1,5-DIMETHYL-8-(1-METHYLETHYLIDENE)-1,5-CYCLODECADIENE
Microorganism:

Yes

IUPAC name(1E,5E)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene
SMILESCC1=CCCC(=CCC(=C(C)C)CC1)C
InchiInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+
FormulaC15H24
PubChem ID5281519
Molweight204.35
LogP4.1
Atoms15
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes
CHEBI-ID5337
Supernatural-IDSN0117738-05

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
EukaryotaPaecilomyces Variotiicompost Fischer et al. 1999
EukaryotaPenicillium Expansumcompost Fischer et al. 1999
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
EukaryotaPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Expansumyest extract sucroseTenax/GC-MSno


(1R,2R,3R,6R)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane

Compound Details

Synonymous names
Bicycloelemene
Microorganism:

No

IUPAC name(1R,2R,3R,6R)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane
SMILESCC(=C)C1C2C(C2(C)C)CCC1(C)C=C
InchiInChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3/t11-,12+,13-,15+/m1/s1
FormulaC15H24
PubChem ID101973934
Molweight204.35
LogP5.5
Atoms15
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes
CHEBI-ID193106
Supernatural-IDSN0208108-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPenicillium Expansumcompost Fischer et al. 1999
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Expansumyest extract sucroseTenax/GC-MSno