Results for:
Species: Muscodor fengyangensis

1,2-dimethoxy-4-methylbenzene

Mass-Spectra

Compound Details

Synonymous names
3,4-Dimethoxytoluene
494-99-5
1,2-Dimethoxy-4-methylbenzene
Homoveratrole
4-Methylveratrole
Benzene, 1,2-dimethoxy-4-methyl-
4-Methylveratrol
4-Methyl-1,2-dimethoxybenzene
Toluene, 3,4-dimethoxy-
Veratrole, 4-methyl-
3,4-dimethoxy-toluene
NSC 7378
MFCD00016651
349X0G2SSF
CHEMBL273904
NSC-7378
1,2-Dimethoxy-4-methyl-benzene
UNII-349X0G2SSF
4 -methylveratrole
EINECS 207-796-0
3.4-dimethoxytoluene
Toluene,4-dimethoxy-
3,?4-?Dimethoxytoluene
SCHEMBL12518
3,4-Dimethoxytoluene, 96%
Benzene,2-dimethoxy-4-methyl-
DTXSID8060088
NSC7378
AC8401
BDBM50008536
AKOS000120780
4-METHYLCATECHOL DIMETHYL ETHER
CS-W018091
MCULE-3232106220
AS-15527
SY012769
DB-021933
D1986
NS00022236
EN300-16175
A827731
W-106022
Q27256350
Z54180242
InChI=1/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H
Microorganism:

No

IUPAC name1,2-dimethoxy-4-methylbenzene
SMILESCC1=CC(=C(C=C1)OC)OC
InchiInChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
FormulaC9H12O2
PubChem ID68126
Molweight152.19
LogP1.9
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids ethers aromatic compounds
Supernatural-IDSN0118821

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon InvadensNADickschat et al. 2018
EukaryotaMuscodor FengyangensisNAZhang et al. 2010
EukaryotaTuber Mesentericumn/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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSno
EukaryotaMuscodor Fengyangensisno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/an/ano


2-methylbutyl Acetate

Mass-Spectra

Compound Details

Synonymous names
2-METHYLBUTYL ACETATE
624-41-9
2-Methyl-1-butyl acetate
1-Butanol, 2-methyl-, acetate
Acetic acid 2-methylbutyl ester
2-methyl-1-butanol acetate
FEMA No. 3644
2-methylbutanol acetate
1-Butanol, 2-methyl-, 1-acetate
Active amyl acetate
2-Methybutyl acetate
IY8732E0YC
DTXSID2027254
CHEBI:50585
2-methyl butyl acetate
2-Methylbutyl acetate (natural)
EINECS 210-843-8
UNII-IY8732E0YC
starbld0000221
Aceticacidmethylbutylester
?-METHYLBUTYL ACETATE
SCHEMBL309720
DTXCID207254
CHEMBL3188103
FEMA 3644
XHIUFYZDQBSEMF-UHFFFAOYSA-
2-Methylbutyl acetate, 99%, FG
2-METHYLBUTYL ACETATE [FCC]
Tox21_200883
MFCD00040494
2-METHYLBUTYL ACETATE [FHFI]
AKOS015902767
(+/-)-2-METHYLBUTYL ACETATE
NCGC00248864-01
NCGC00258437-01
2-METHYLBUTYL ACETATE, (+/-)-
CAS-624-41-9
LS-13346
2-Methylbutyl acetate, analytical standard
2-Methylbutyl Acetate (Active Amyl Acetate)
A1076
CS-0454341
NS00019439
2-Methylbutyl acetate, natural, >=95%, FG
F87378
InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
Microorganism:

Yes

IUPAC name2-methylbutyl acetate
SMILESCCC(C)COC(=O)C
InchiInChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
FormulaC7H14O2
PubChem ID12209
Molweight130.18
LogP2.1
Atoms9
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID50585
Supernatural-IDSN0430221

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus ClavatusNADickschat et al. 2018
EukaryotaFusarium OxysporumNAMoisan et al. 2021
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
EukaryotaTuber AestivumNAMarch et al. 2006
EukaryotaMuscodor Fengyangensisn/aZhejiang Province of Southeast ChinaZhang et al. 2010
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
ProkaryotaKlebsiella Sp.n/aNASchulz and Dickschat 2007
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
ProkaryotaLactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Clavatusmedium 129CLSA-GCMSno
EukaryotaFusarium Oxysporum1/5th PDA mediumGC-MSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus EpidermidisBHI mediaHS-SPME/GC×GC-TOFMSno
EukaryotaTuber AestivumPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaMuscodor Fengyangensispotato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). no
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
ProkaryotaKlebsiella Sp.n/an/ano
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno


1-methyl-4-propan-2-ylidenecyclohexene

Mass-Spectra

Compound Details

Synonymous names
TERPINOLENE
586-62-9
Isoterpinene
Terpinolen
alpha-Terpinolene
4-Isopropylidene-1-methylcyclohexene
p-Mentha-1,4(8)-diene
1,4(8)-p-Menthadiene
Nofmer TP
Tereben
p-Menth-1,4(8)-diene
1,4(8)-Terpadiene
Cyclohexene, 1-methyl-4-(1-methylethylidene)-
1-Methyl-4-(1-methylethylidene)cyclohexene
1-Methyl-4-isopropylidene-1-cyclohexene
FEMA No. 3046
FEMA Number 3046
1-Methyl-4-(1-methylethylidene)-1-cyclohexene
HSDB 5702
EINECS 209-578-0
UNII-N9830X5KSL
p-Meth-1-en-8-yl-formate
4-isopropylidene-1-methyl-cyclohexene
1-methyl-4-(propan-2-ylidene)cyclohex-1-ene
.gamma.-Terpinolene
1-methyl-4-propan-2-ylidenecyclohexene
CHEBI:9457
N9830X5KSL
DTXSID0027222
1-methyl-4-(propan-2-ylidene)cyclohexene
AI3-24378
DTXCID507222
EC 209-578-0
MFCD00049191
1-methyl-4-(1-methylethylidene)-cyclohexene
Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)
1-methyl-4-(propan-2-ylidene)cyclohexene p-mentha-1,4(8)-diene
UN2541
delta-Terpinene
alpha -Terpinolene
.alpha.-Terpinolene
.alpha.- Terpinolen
Terpinolene (>85%)
Terpinolene, >=90%
TERPINOLENE with GC
TERPINOLENE [FHFI]
TERPINOLENE [HSDB]
bmse000504
CHEMBL454697
Terpinolene, analytical standard
FEMA 3046
Tox21_303268
AKOS028108377
FS-6812
LMPR0102090062
Terpinolene, technical, >=85% (GC)
UN 2541
d-1-methyl-4-isopropenyl-1-cyclohexene
Terpinolene, purum, >=95.0% (GC)
NCGC00256963-01
CAS-586-62-9
4-ISOPROPYLIDENE-1-METHYLCYCLOHEXANE
DB-053242
Terpinolene 1000 microg/mL in Isopropanol
NS00005520
T0817
Terpinolene [UN2541] [Flammable liquid]
C06075
EN300-125038
Alpha-Terpinolene 1000 microg/mL in Isopropanol
1-Methyl-4-(1-methylethylidene)-1-cyclohexene #
1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI
Q-201793
Q2405051
Z1255360533
CYCLOHEXENE, 1-METHYL-4-(1-METHYLETHYLIDENE)-, (R)-
9LR
Microorganism:

Yes

IUPAC name1-methyl-4-propan-2-ylidenecyclohexene
SMILESCC1=CCC(=C(C)C)CC1
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
FormulaC10H16
PubChem ID11463
Molweight136.23
LogP2.8
Atoms10
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes
CHEBI-ID9457
Supernatural-IDSN0231433

mVOC Specific Details

Boiling Point
DegreeReference
187 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-494
Volatilization
The Henry's Law constant for terpinolene is 2.62X10-2 atm-cu m/mole(1). This Henry's Law constant indicates that terpinolene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 48 days if adsorption is considered(3). Terpinolene is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 7.43X10-1 mm Hg(4).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Li J et al; Environ International 24: 353-58 (1998)
Soil Adsorption
The Koc of terpinolene is estimated as 7,600(SRC), using a log Kow of 4.47(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that terpinolene is expected to be immobile in soil.
Literature: (1) Li J et al; Environ International 24: 353-58 (1998) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 6, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.74 mm Hg at 25 deg CLi J et al; Environ International 24: 353-358 (1998)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaAmanita OvoideaFranceBreheret et al. 1997
EukaryotaCystoderma CarchariasFranceBreheret et al. 1997
EukaryotaMycena PuraFranceBreheret et al. 1997
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
EukaryotaEmericella Nidulanscompost Fischer et al. 1999
ProkaryotaStreptomyces Sp.nabreathing zone of a waste collection workerWilkins 1996
EukaryotaTrichoderma AtrovirideNAStoppacher et al. 2010
EukaryotaTrichoderma Virensn/aNACrutcher et al. 2013
EukaryotaTrichoderma Atroviriden/aNACrutcher et al. 2013
EukaryotaTrichoderma Reesein/aNACrutcher et al. 2013
EukaryotaMuscodor Fengyangensisn/aZhejiang Province of Southeast ChinaZhang et al. 2010
EukaryotaTuber Magnatumn/aItalian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)Gioacchini et al. 2008
EukaryotaPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaFusarium GraminearumBallot et al. 2023
ProkaryotaMicrobacteriumBallot et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian FE supp.SPME/GC-MSno
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
EukaryotaCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
EukaryotaMycena Puraforest soilsolvent extraction, headspace, GCMSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSno
EukaryotaEmericella Nidulansyest extract sucroseTenax/GC-MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaMuscodor Fengyangensispotato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). no
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaFusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno


(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

Compound Details

Synonymous names
Valencene
(+)-Valencene
4630-07-3
Valencen
(3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
FEMA No. 3443
DTXSID8047052
CHEBI:61700
96H21P91IG
Valencene (natural)
ent-7betaH-eremophila-10(1),11-diene
(+)-Valencene 1000 microg/mL in Isopropanol
(1R-(1alpha,7beta,8alpha))-1,2,3,5,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene
Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-
NSC-148969
(3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
(A+/-)-valencene
4.beta.H,5.alpha.-Eremophila-1(10),11-diene
VALENCENE [FHFI]
VALENCENE [INCI]
(+)-Valencene, tech grade
Valencene (Technical Grade)
UNII-96H21P91IG
Valencene, natural, >=65%
CHEMBL3186909
DTXCID6027052
(+)-Valencene, analytical standard
HY-N6636
NAPHTHALENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,7.BETA.,8A.ALPHA.))-
EINECS 225-047-6
Tox21_302397
MFCD00075884
(+)-Valencene, technical, >=70%
AKOS027460688
NSC 148969
NCGC00256249-01
MS-23110
CAS-4630-07-3
4Betah,5alpha-eremophila-1(10),11-diene
CS-0044199
C17277
F71379
Q289496
4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin
4alpha,10alpha-Dimethyl-6beta-isopropyl-.DELTA.1,9-octalin
(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
1,2,3,5,6,7,8,8a-Octahydro-1,8A-dimethyl-7-(1-methylethenyl)naphthalene, (1R-(1alpha,7beta,8aalpha))-
Naphthalene, 1,2,3,5,6,7,8,8A-octahydro-1,8A-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))-
Microorganism:

Yes

IUPAC name(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
SMILESCC1CCC=C2C1(CC(CC2)C(=C)C)C
InchiInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
FormulaC15H24
PubChem ID9855795
Molweight204.35
LogP5.2
Atoms15
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes
CHEBI-ID61700
Supernatural-IDSN0302870-06

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaTrichoderma HamatumNAGuo et al. 2019
EukaryotaTrichoderma HarzianumNAGuo et al. 2019
EukaryotaTrichoderma VirensNAGuo et al. 2019
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
EukaryotaPenicillium Roquefortin/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen 2003
EukaryotaMuscodor Albusn/aobtained from limbs of vineAtmosukarto et al. 2005
EukaryotaMuscodor Fengyangensisn/aZhejiang Province of Southeast ChinaZhang et al. 2010
EukaryotaTrichoderma Viriden/aNAMueller et al. 2013
EukaryotaPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaTrichoderma HamatumMelin-Norkrans synthetic mediumSBSE-GC-MSno
EukaryotaTrichoderma HarzianumMelin-Norkrans synthetic mediumSBSE-GC-MSno
EukaryotaTrichoderma VirensMelin-Norkrans synthetic mediumSBSE-GC-MSno
ProkaryotaStreptomyces SalmonisGYM agarSPME/GC-MSno
EukaryotaPenicillium Roqueforti wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibresno
EukaryotaMuscodor AlbusPotato dextrose agar (PDA)SPME - GC - MS - culture 12 days oldno
EukaryotaMuscodor Fengyangensispotato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). no
EukaryotaTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno