Results for:
Species: Muscodor fengyangensis (ZJLQ024)

(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
Valencen
Valencene (natural)
Valencene, 80%
V0117
C17277
96H21P91IG
CHEMBL3186909
Valencene, natural, >=65%
OR020766
DTXSID8047052
AK542447
ZINC1734352
CHEBI:61700
(+)-Valencene
UNII-96H21P91IG
DSSTox_GSID_47052
CJ-29510
DSSTox_RID_82070
MFCD00075884
ZINC01734352
DSSTox_CID_27052
C-54644
(+)-Valencene, analytical standard
NSC 148969
AKOS027460688
FEMA No. 3443
Tox21_302397
4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin
Ambap4630-07-3
4630-07-3
NCGC00256249-01
EINECS 225-047-6
20479-02-1
CAS-4630-07-3
(+)-Valencene, technical, >=70%
4alpha,10alpha-Dimethyl-6beta-isopropyl-.DELTA.1,9-octalin
ent-7betaH-eremophila-10(1),11-diene
4Betah,5alpha-eremophila-1(10),11-diene
4betaH,5alpha-Eremophila-1(10),11-diene (8CI)
(3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-
Naphthalene, 1,2,3,5,6,7,8,8A-octahydro-1,8A-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))-
1,2,3,5,6,7,8,8a-Octahydro-1,8A-dimethyl-7-(1-methylethenyl)naphthalene, (1R-(1alpha,7beta,8aalpha))-
(3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
(1R-(1alpha,7beta,8alpha))-1,2,3,5,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene
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
Molweight204.357
LogP4.52
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiMuscodor Albus I-41. 3sn/aobtained from limbs of vineAtmosukarto et al., 2005
FungiMuscodor Fengyangensis (ZJLQ024)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiMuscodor Fengyangensis (ZJLQ070)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiMuscodor Fengyangensis (ZJLQ151)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiMuscodor Fengyangensis (ZJLQ374)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiPenicillium Roqueforti (IBT 16404)n/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen, 2003
FungiPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Viriden/aMueller et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiMuscodor Albus I-41. 3sPotato dextrose agar (PDA)SPME - GC - MS - culture 12 days old
FungiMuscodor Fengyangensis (ZJLQ024)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiMuscodor Fengyangensis (ZJLQ070)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiMuscodor Fengyangensis (ZJLQ151)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiMuscodor Fengyangensis (ZJLQ374)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiPenicillium Roqueforti (IBT 16404) wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibres
FungiPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS


1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

Mass-Spectra

Compound Details

Synonymous names
ADIDQIZBYUABQK-UHFFFAOYSA-N
AC1L31JW
AC1Q29YD
.alpha.-Guaiene
CTK1G0068
OR280848
FT-0699683
1(5),11-Guaiadiene
3691-12-1
53863-54-0
1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-
1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene
7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-, [1S-(1.alpha.,4.alpha.,7.alpha.)]-
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-
Microorganism:

Yes

IUPAC name1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
SMILESCC1CCC(CC2=C1CCC2C)C(=C)C
InchiInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3
FormulaC15H24
PubChem ID107152
Molweight204.357
LogP4.46
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiMuscodor Fengyangensis (ZJLQ024)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiMuscodor Fengyangensis (ZJLQ070)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiMuscodor Fengyangensis (ZJLQ151)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiMuscodor Fengyangensis (ZJLQ374)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiMuscodor Fengyangensis (ZJLQ023)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiMuscodor Albus I-41. 3sn/aobtained from limbs of vineAtmosukarto et al., 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiMuscodor Fengyangensis (ZJLQ024)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiMuscodor Fengyangensis (ZJLQ070)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiMuscodor Fengyangensis (ZJLQ151)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiMuscodor Fengyangensis (ZJLQ374)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiMuscodor Fengyangensis (ZJLQ023)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiMuscodor Albus I-41. 3sPotato dextrose agar (PDA)SPME - GC - MS - culture 12 days old


1-methyl-4-propan-2-ylidenecyclohexene

Mass-Spectra

Compound Details

Synonymous names
Isoterpinene
Terpinolen
TERPINOLENE
alpha-Terpinolene
MOYAFQVGZZPNRA-UHFFFAOYSA-N
Tereben
Terpinolene, analytical standard
Nofmer TP
AC1L1XEP
4-Isopropylidene-1-methylcyclohexene
.alpha.-Terpinolene
.gamma.-Terpinolene
Terpinolene 95 PFP
Terpinolene, >=90%
4-isopropylidene-1-methyl-cyclohexene
TERPINOLENE 95 C
UN2541
5733AF
N9830X5KSL
CTK5C9029
NE11041
.alpha.- Terpinolen
CHEMBL454697
UNII-N9830X5KSL
HSDB 5702
ZINC968225
CHEBI:9457
C06075
bmse000504
OR025386
LS-3108
OR114585
OR290006
1-methyl-4-propan-2-ylidenecyclohexene
1-Methyl-4-isopropylidene-1-cyclohexene
FEMA Number 3046
UN 2541
DTXSID0027222
ZB015523
DSSTox_CID_7222
DSSTox_GSID_27222
AN-21504
DSSTox_RID_78355
1-Methyl-4-(1-methylethylidene)cyclohexene
MFCD00049191
TR-020377
1-METHYL-4-PROPAN-2-YLIDENE-CYCLOHEXENE
1,4(8)-paramenthadiene
AI3-24378
AKOS028108377
Q-201793
1,4(8)-Terpadiene
FT-0632449
FEMA No. 3046
LMPR0102090062
1-methyl-4-(propan-2-ylidene)cyclohexene
Tox21_303268
p-Meth-1-en-8-yl-formate
Terpinolene, technical, >=85% (GC)
I14-108647
1,4(8)-p-Menthadiene
586-62-9
Terpinolene [UN2541] [Flammable liquid]
NCGC00256963-01
EINECS 209-578-0
CAS-586-62-9
1-Methyl-4-(1-methylethylidene)-1-cyclohexene
69073-38-7
p-Mentha-1,4(8)-diene
p-Menth-1,4(8)-diene
Terpinolene [UN2541] [Flammable liquid]
Cyclohexene, 1-methyl-4-(1-methylethylidene)-
1-Methyl-4-(1-methylethylidene)-1-cyclohexene #
MolPort-003-932-579
Terpinolene, purum, >=95.0% (GC)
1-methyl-4-(propan-2-ylidene)cyclohex-1-ene
Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)
1-methyl-4-(propan-2-ylidene)cyclohexene p-mentha-1,4(8)-diene
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
Molweight136.238
LogP3.12
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
FungiEmericella Nidulanscompost Fischer et al. 2048
FungiTrichoderma Atroviride ATCC 74058Stoppacher et al., 2010
FungiMuscodor Fengyangensis (ZJLQ024)n/aZhejiang Province of Southeast ChinaZhang et al., 2010
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTuber Magnatumn/aItalian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS no
FungiMuscodor Fengyangensis (ZJLQ024)potato dextrose agarThe MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1664SPME / GC-MS
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1644SPME / GC-MS
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)