Results for:
Species: Suillus luteus

4,6,6-trimethylbicyclo[3.1.1]hept-3-ene

Mass-Spectra

Compound Details

Synonymous names
Phosphosulfurized alpha-pinene
ALPHA-PINENEPOLYMER
alphapinene
GRWFGVWFFZKLTI-UHFFFAOYSA-N
Cyclic dexadiene
alpha-Pinene, phosphosulfurized
Pinene isomer
alpha pinene
ALPHA-PINENE
Sylvapine A
Acintene A
Acitene A
Wilt Pruf
Alpha Pinene PF
DL-ALPHA-PINENE
2-Pinene
PINENE, ALPHA
1R-alpha-Pinene
AC1L1N0D
alpha-pinene, pinene
alpha-Pinene(dextro)
1R-a-Pinene
.alpha.-Pinene
alpha-Pinene (natural)
NSC7727
pin-2-ene
UN2368
CCRIS 697
CTK5E7908
HMDB06525
HSDB 720
CHEMBL442565
NSC94522
NSC94523
PC 500
alpha [D] Pinene
alpha [L] Pinene
C09880
BT000143
DTXSID4026501
FEMA Number 2902
LS-2348
NSC 7727
NSC-7727
OR038360
OR246844
OR249294
Pinene, .alpha.
SBB060477
UN 2368
1R-.alpha.-Pinene
1S-.alpha.-Pinene
CHEBI:36740
DSSTox_CID_6501
AN-19420
AN-19426
AN-42193
DSSTox_GSID_26501
NSC-94522
NSC-94523
SC-18193
DSSTox_RID_78126
PINENE, ALPHA (D)
PINENE, ALPHA (L)
AI3-24594
ST51046656
AKOS000121239
Q-201582
(+)-a-Pinene
BRN 3194807
FEMA No. 2902
FT-0604379
FT-0604414
FT-0622197
FT-0698080
pin-2(3)-ene
(R)-.alpha.-Pinene
80-56-8
(+-)-alpha-pinene
Tox21_110996
Tox21_200108
Tox21_303385
1R-(+)-alpha-pinene
alpha-Pinene, phosphorus pentasulfide reaction product (4:1)
DL-Pin-2(3)-ene
CAS-80-56-8
1R-(+)-a-pinene
MCULE-3589656574
NCGC00090682-01
NCGC00090682-02
NCGC00257379-01
NCGC00257662-01
(+-)-2-pinene
(+/-)-alpha-Pinene
EINECS 201-291-9
EINECS 219-445-9
EINECS 267-032-7
25766-18-1
39388-04-0
39423-40-0
50815-61-7
53569-35-0
56833-58-0
57762-87-5
67762-73-6
68411-25-6
72510-05-5
102640-64-2
103657-08-5
459844-87-2
alpha-Pinene [UN2368] [Flammable liquid]
(+/-)-2-Pinene
MolPort-003-926-536
(1R)-(+)-a-Pinene
(+)-Pin-2(3)-ene
2,6-Trimethylbicyclo[3.1.1]-2-heptene
(.+/-.)-.alpha.-Pinene
2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene
2,6,6-Trimethylbicyclo[3.1.1]-2-heptene
2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
4,6,6-Trimethylbicyklo(3,1,1)hept-3-en
Bicyclo[3.1.1]hept-2-ene,6,6-trimethyl-
2,6-Trimethylbicyclo[3.1.1]-2-hept-2-ene
2,6,6-trimethyl-Bicyclo(3.1.1)hept-2-ene
2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene
2-Pinene, (1S,5S)-(-)-
2,6,6-Trimethyl bicyclo-(3,1,1)-2 heptene
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl
Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-
2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene
4,6,6-Trimethylbicyklo(3,1,1)hept-3-en [Czech]
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, phosphosulfurized
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, homopolymer
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)-
Microorganism:

Yes

IUPAC name4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
SMILESCC1=CCC2CC1C2(C)C
InchiInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
FormulaC10H16
PubChem ID6654
Molweight136.238
LogP2.8
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

mVOC Specific Details

Volatilization
The Henry's Law constant for alpha-pinene is estimated as 0.29 atm-cu m/mole(SRC) derived from its vapor pressure, 4.75 mm Hg(1), and water solubility, 2.49 mg/L(2). This Henry's Law constant indicates that alpha-pinene is expected to volatilize rapidly from water surfaces(3). 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)(3) 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)(3) is estimated as 5 days(SRC). alpha-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of alpha-pinene from dry soil surfaces may exist based upon a vapor pressure of 4.75 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp (1989) (2) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
ALMOST INSOLUBLE IN PROPYLENE GLYCOL & GLYCERINE
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Sol in alcohol, chloroform, ether, glacial acetic acid, fixed oils
Literature: Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 2970
Literature: #In water, 2.49 mg/L at 25 deg C
Literature: Li J, Perdue EM; Physicochemical Properties of Selected Monoterpenes. Pre-print Extended Abstract, Presented Before The Division of Environmental Chemistry, Amer Chem Soc, Anaheim, Ca: April 2-7 (1995)
Soil Adsorption
The Koc of alpha-pinene is estimated as 2,600(SRC), using a water solubility of 2.49 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that alpha-pinene is expected to have slight mobility in soil.
Literature: (1) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
4.75 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2018
BacteriaBacillus Artrophaeus LSSC22Agriculture University of Nanjing, ChinaTahir et al. 2031
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiAspergillus Fumigatuscompost Fischer et al. 2045
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium SpinulosumHedlund et al 1995
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
FungiAgrocybe AegeritaFranceBreheret et al. 1997
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiBoletus AestivalisFranceBreheret et al. 1997
FungiCantharellus CibariusFranceBreheret et al. 1997
FungiCortinarius CinnamomeusFranceBreheret et al. 1997
FungiCystoderma AmianthinumFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiHydnum RepandumFranceBreheret et al. 1997
FungiHygrophorus AgathosmusFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma PortentosumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
BacteriaEscherichia Coli MG1655Bokinsky et al., 2011
FungiTuber Magnatumn/aItalian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Artrophaeus LSSC22LBSPME-GC-MSno
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiMortierella Isabellinadiethyl extraction, GC-MSno
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium SpinulosumGC-MSno
FungiPiptoporus BetulinusnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaStreptomyces Griseusn/an/a
FungiAgrocybe Aegeritaforest soilsolvent extraction, headspace, GCMSno
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1642SPME / GC-MS
FungiBoletus Aestivalisforest soilsolvent extraction, headspace, GCMSno
FungiCantharellus Cibariusforest soilsolvent extraction, headspace, GCMSno
FungiCortinarius Cinnamomeusforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Amianthinumforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiHydnum Repandumforest soilsolvent extraction, headspace, GCMSno
FungiHygrophorus Agathosmusforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Portentosumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
BacteriaEscherichia Coli MG1655Luria-Bertani (LB)
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

Mass-Spectra

Compound Details

Synonymous names
Pseudopinene
Terebenthene
Pseudopinen
Terbenthene
Nopinene
Rosemarel
WTARULDDTDQWMU-UHFFFAOYSA-N
Nopinen
beta-Pinene homopolymer
beta pinene
BETA-PINENE
ss-Pinene
AC1Q2AIT
B-pinene
beta-Pinene resin
PINENE, BETA
AC1L24RF
I943
Piccolyte 115
.beta.-Pinene
beta-Pinene (natural)
P0441
6,6-Dimethyl-2-methylenenorpinane
CHEMBL501351
laevo-.beta.-Pinene
NSC21447
NSC59190
Beta Pinene 95 PF
Beta Pinene PF 85%
Beta Pinene PF 95%
Beta Pinene T 85%
Beta Pinene T 95%
C09882
HSDB 5615
AK113983
BT000141
DTXSID7027049
Jsp001748
L-.beta.-Pinene
LS-3052
NSC406265
OR025387
OR211823
OR213994
SBB061306
CHEBI:50025
DSSTox_CID_7049
( inverted exclamation markA)-b-pinene
6,6-dimethyl-2-methylene-norpinane
AB1006761
AN-18767
AN-23009
DSSTox_GSID_27049
EBD2156726
NSC 21447
NSC-21447
NSC-59190
SC-48739
D-alpha-PINENE, 95%
DSSTox_RID_78293
2(10)-Pinene
AI3-24483
NSC-406265
ST50330587
AKOS004119987
(-)-b-Pinene
4CH-024531
FEMA No. 2903
FT-0604382
FT-0622936
I14-45220
Pin-2(10)-ene
Tox21_200029
127-91-3
9081-94-1
NCGC00248498-01
NCGC00257583-01
(-)-.beta.-Pinene
CAS-127-91-3
EINECS 204-872-5
EINECS 245-424-9
25719-60-2
37203-45-5
39475-62-2
50922-56-0
51273-99-5
55963-81-0
55963-82-1
59828-47-6
59828-48-7
60976-31-0
211108-08-6
(+)-I(2)-Pinene
MolPort-004-956-468
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
(1S)-(-)-b-Pinene
(-)-2(10)-Pinene
Bicyclo[3.1.1]heptane,6-dimethyl-2-methylene-
2,6-Trimethylbicyclo[3.1.1]hept-2-ene
6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane
(-)-Pin-2(10)-ene
.beta.-Pinene-(1S)-(-)
(1S)-(-)-.beta.-Pinene
(1S,5S)-2-(10)-Pinene
2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene
Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-
(1)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane
BICYCLO(3.1.1)HEPTANE, 6,6-DIMETHYL-2-METHYLENE-, HOMOPOLYMER
(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1] heptane
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane-, (S)-
2(10)-Pinene, (1S,5S)-(-)-
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-
Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-
2(10)-Pinene; 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane; Pin-2(10)-ene
Microorganism:

Yes

IUPAC name6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
SMILESCC1(C2CCC(=C)C1C2)C
InchiInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
FormulaC10H16
PubChem ID14896
Molweight136.238
LogP2.86
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Ketones Bicyclo Alkane

mVOC Specific Details

Boiling Point
DegreeReference
166 deg CLide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-436
Volatilization
The Henry's Law constant for beta-pinene is estimated as 0.16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that beta-pinene 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). beta-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 340 days when adsorption is considered(3). beta-Pinene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.93 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Solubility
ALMOST INSOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Soluble in benzene, ethanol and ethyl ether
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-436
Literature: #Soluble in alcohol and chloroform
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1283
Literature: #In water, 4.89 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Sept 24, 2008: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Soil Adsorption
The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.
Literature: The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.
Vapor Pressure
PressureReference
2.93 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTricholoma CaligatumFranceBreheret et al. 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
FungiPenicillium Commune PittDG18GC/MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
BacteriaStreptomyces Griseusn/an/a
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno


3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane

Mass-Spectra

Compound Details

Synonymous names
CAMPHENE
CRPUJAZIXJMDBK-UHFFFAOYSA-N
Comphene
DL-Camphene
ACMC-1ARGM
AC1L1MX7
DL-CAMPHENE, TECH
KSC378G0P
NSC4165
HSDB 900
CTK2H8307
3,3-Dimethyl-2-methylenenorcamphene
3,3-Dimethyl-2-methylenenorcamphane
3,3-Dimethyl-2-methylenenorbornane
2,2-Dimethyl-3-methylenenorbornane
C06076
CHEBI:3830
CCRIS 3783
AK175981
DTXSID8026488
STK801857
SBB060158
LS-2612
CHEMBL2268550
NSC 4165
NSC-4165
BBL033861
OR342768
OR285856
OR021726
DSSTox_CID_6488
ANW-41333
AN-24008
AN-23709
AN-19994
KB-67126
KB-00127
2,2-dimethyl-3-methylene-norbornane
DSSTox_GSID_26488
DSSTox_RID_78121
MFCD00066603
BB_NC-0785
AI3-01775
DB-053130
DB-056393
DB-057848
RTR-025333
ST50330642
TR-025333
AKOS004119935
FT-0635856
FT-0609260
FEMA No. 2229
TRA-0205299
I14-10696
I14-52149
Z955123744
79-92-5
Tox21_303152
Tox21_202014
(+/-)-Camphene
565-00-4
CAS-79-92-5
Camphene (2,2-dimethyl-3-methylene-norbornane)
5794-04-7
MCULE-1011863584
NCGC00259563-01
NCGC00257126-01
NCGC00249149-01
EINECS 201-234-8
EINECS 209-275-3
SR-01000944833
MolPort-001-785-795
3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane
3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane
2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane
Bicyclo[2.2.1]heptane,2-dimethyl-3-methylene-
SR-01000944833-1
WLN: L55 A CYTJ CU1 D1 D1
2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane #
Camphene, (1R,4S)-(+)-
Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-
(1)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1S)-
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1R)-
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1R,4S)-
Microorganism:

Yes

IUPAC name3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane
SMILESCC1(C2CCC(C2)C1=C)C
InchiInChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
FormulaC10H16
PubChem ID6616
Molweight136.238
LogP2.86
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details

Volatilization
The Henry's Law constant for camphene is estimated as 0.098 atm-cu m/mole(SRC) derived from its vapor pressure, 2.5 mm Hg(1), and water solubility, 4.6 mg/L(2). This Henry's Law constant indicates that camphene is expected to volatilize rapidly from water surfaces(3). 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)(3) is estimated as 1 hour(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). Camphene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of camphene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.5 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 p.4-40 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of camphene can be estimated to be 1000(SRC). According to a classification scheme(2), this estimated Koc value suggests that camphene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.5 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiAspergillus Fumigatuscompost Fischer et al. 2025
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiBoletus AestivalisFranceBreheret et al. 1997
FungiCantharellus CibariusFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiFusarium Culmorum PVaffects swarming and swimming motility of Serratia plymuthica PRI-2C; affects swarming ability of Collimonas pratensis Ter291sandy dune soil, NetherlandsSchmidt et al., 2016
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiHydnum RepandumFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
FungiTuber Magnatumn/aItalian geographical areas (Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1643SPME / GC-MS
FungiBoletus Aestivalisforest soilsolvent extraction, headspace, GCMSno
FungiCantharellus Cibariusforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiFomitopsis PinicolanaGC/MSNo
FungiFusarium Culmorum PVpotato dextrose agarGC/MS-Q-TOFNo
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiHydnum Repandumforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiPenicillium Commune PittDG18GC/MS
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

Mass-Spectra

Compound Details

Synonymous names
Sabenene
NDVASEGYNIMXJL-UHFFFAOYSA-N
SABINENE
Sabinen
AC1L2CV6
AC1Q2A93
CHEMBL452687
C16777
OR259717
OR196226
OR014753
NSC407278
Sabinene, natural, 75%
CHEBI:50027
SC-21181
CC-34338
FCH1122054
C-25396
MFCD00064917
4(10)-Thujene
NSC-407278
NSC 407278
J-019353
AKOS024318970
FT-0634821
Thuj-4(10)-ene
EN300-250199
3387-41-5
MCULE-3593242171
THUJENE, 4(10)-
1-Isopropyl-4-methylenebicyclo[3.1.0]hexane
MolPort-006-115-296
2-methylidene-5-propan-2-ylbicyclo[3.1.0]hexane
4-methylene-1-(1-methylethyl)bicyclo[3.1.0]hexane
4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
4-Methylene-1-(1-methylethyl)-bicyclo[3.1.0]hexane
Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-
Microorganism:

Yes

IUPAC name4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC(C)C12CCC(=C)C1C2
InchiInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
FormulaC10H16
PubChem ID18818
Molweight136.238
LogP2.86
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al., 2011
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
FungiTuber Magnatumn/aItalian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiPhomopsis Sp.PDA mediumSPME-GC/MSYes
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


3-methylidene-6-propan-2-ylcyclohexene

Mass-Spectra

Compound Details

Synonymous names
BETA-PHELLANDRENE
LFJQCDVYDGGFCH-UHFFFAOYSA-N
beta-Phellandren
PHELLANDRENE, BETA
AC1L1WPA
2-p-Menthadiene
.beta.-Phellandrene
3-isopropyl-6-methylene-cyclohexene
8103AB
Phellandrene, .beta.
CTK5B3386
NSC53044
CHEMBL444254
HSDB 4080
C19818
3-methylidene-6-propan-2-ylcyclohexene
OR115872
OR115873
AK110381
DTXSID4052215
CHEBI:48741
4-Isopropyl-1-methylene-2-cyclohexene
3-Isopropyl-6-methylenecyclohex-1-ene
3-Isopropyl-6-methylene-1-cyclohexene
NSC 53044
NSC-53044
ST2405122
AN-23677
AX8225699
3-Isopropyl-6-methylene-1-cyclohexene #
3-Methylene-6-(1-methylethyl)cyclohexene
3-METHYLIDENE-6-PROPAN-2-YL-CYCLOHEXENE
KB-236425
Epitope ID:123895
AKOS016008994
4CH-017959
3-methylene-6-(1-methylethenyl)-cyclohexane
3-Methylidene-6-(propan-2-yl)cyclohexene
555-10-2
6153-17-9
EINECS 209-081-9
51941-36-7
p-Mentha-1(7),2-diene
Cyclohexene, 3-methylene-6-(1-methylethyl)-
3-methylidene-6-(propan-2-yl)cyclohex-1-ene
Microorganism:

Yes

IUPAC name3-methylidene-6-propan-2-ylcyclohexene
SMILESCC(C)C1CCC(=C)C=C1
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
FormulaC10H16
PubChem ID11142
Molweight136.238
LogP3.26
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFusarium Culmorum PVaffects swarming and swimming motility of Serratia plymuthica PRI-2C; affects swarming ability of Collimonas pratensis Ter291sandy dune soil, NetherlandsSchmidt et al., 2016
FungiPaecilomyces Variotiicompost Fischer et al. 2044
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiCortinarius CinnamomeusFranceBreheret et al. 1997
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiHygrophorus AgathosmusFranceBreheret et al. 1997
FungiLaccaria AmethystinaFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTrichoderma Atroviride ATCC 74058Stoppacher et al., 2010
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma PortentosumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFusarium Culmorum PVpotato dextrose agarGC/MS-Q-TOFNo
FungiPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiCortinarius Cinnamomeusforest soilsolvent extraction, headspace, GCMSno
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiHygrophorus Agathosmusforest soilsolvent extraction, headspace, GCMSno
FungiLaccaria Amethystinaforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS no
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Portentosumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno