Results for:
chemical Classification: Bicyclo

4,7,7-trimethylbicyclo[2.2.1]heptan-3-one

Mass-Spectra

Compound Details

Synonymous names
Alcanfor
Alphanon
Camphora
DSSYKIVIOFKYAU-UHFFFAOYSA-N
Matricaria camphor
camphor
Formosa
Formosa camphor
Japanese camphor
Kampfer
Japan camphor
Laurel camphor
Camphor oil
Camphor USP
dextro,laevo-camphor
Gum camphor
Camphor, synthetic
DL-Camphor
l-Camphor
2-Camphanone
2-Camphonone
AC1L1DWH
Huile de camphre
Root bark spirit
Spirit of camphor
2-Bornanone
2-Kamfanon
Root bark oil
AC1Q2CF0
camphor (natural)
Camphor Powder - Synthetic
d-2-Bornanone
d-2-Camphanone
Bornan-2-one
GTPL2422
HSDB 37
Kampfer [German]
KSC378C7P
Q964
Camphor (USP)
CHEMBL15768
SCHEMBL16068
UN2717
C1251
camphor, (synthetic)
Camphor, D-
CTK2H8177
HMS502E06
1,7,7-Trimethylnorcamphor
DL-Bornan-2-one
JFD03998
LS-126
(1R)-Camphor
C00809
C18369
D00098
HMS2268A06
Huile de camphre [French]
Sarna (Salt/Mix)
AC-5284
BBL012963
BT000174
DTXSID5030955
Heet (Salt/Mix)
LS-1691
OR001346
OR116929
OR327727
STK803534
UN 2717
(-)-Alcanfor
2-Kamfanon [Czech]
A838646
ACMC-209k77
CHEBI:36773
D(+)-Camphor
(-)-Camphor
(+)-Camphor
AC-15523
AN-11174
AN-17868
AN-23465
AN-23893
ANW-30449
Bornane, 2-oxo-
DSSTox_GSID_30955
KB-00097
KB-50285
LS-48718
TRA0077646
BB_NC-0198
CAMPHOR POWDER D.A.B.8
Caswell No. 155
DSSTox_CID_10955
DSSTox_RID_78860
MFCD00064149
NINDS_000724
AI3-01698
AI3-18783
Camphor, (1R)-Isomer
DB-070734
dl-Camphor (JP17)
KB-270826
RTR-037701
TR-037701
2-Keto-1,7,7-trimethylnorcamphane
AKOS000118728
AKOS022060577
D-(+)-Camphor
DivK1c_000724
EPA Pesticide Chemical Code 015602
I06-1217
KBio1_000724
l-(-)-Camphor
Q-200784
W-109539
W-110530
(+-)-Camphor
BRN 1907611
BRN 3196099
FEMA No. 2230
FT-0607017
IDI1_000724
MLS001055495
SMR000386909
(+)-2-Bornanone
1,7,7-trimethylnorbornan-2-one
76-22-2
I14-16513
LMPR0102120001
Z940713494
Tox21_200237
464-48-2
F0001-0763
(+/-)-Camphor
Camphor, (+)-
CAS-76-22-2
Norcamphor, 1,7,7-trimethyl-
Camphor, (+-)-Isomer
MCULE-2476865084
NCGC00090681-05
NCGC00090730-01
NCGC00090730-02
NCGC00257791-01
EINECS 200-945-0
EINECS 207-355-2
EINECS 244-350-4
21368-68-3
CAMPHOR, (+-)-
(1R)-(+) Camphor
(1R)-(+)-amphor
MolPort-002-506-944
Camphor, synthetic [UN2717] [Flammable solid]
(.+/-.)-Camphor
Camphor, (+/-)-
(1R, 4R)-(+) Camphor
(1R,4R)-1,7,7-trimethylnorbornan-2-one
Camphor, (.+/-.)-
1,7,7-Trimethylbicyclo(2.2.1)-2-heptanone
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one
1,7,7-Trimethylbicyclo[2.2.1]-2-heptanone
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
Camphor, (1R,4R)-(+)-
1,7,7-Trimethyl-bicyclo(2,2,1)Heptan-2-one
1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-one
1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-one
(+/-)-Camphor, 96% 100g
Bicyclo(2.2.1)heptane-2-one, 1,7,7-trimethyl-
Bicyclo[2.2.1]heptane-2-one, 1,7,7-trimethyl-
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-
(+/-)-1,7,7-trimethyl-bicyclo[2,2,1]heptane-2-one
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1theta)-
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S,4S)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (+/-)-
CAMPHOR (SEE ALSO DL-CAMPHOR (21368-68-3) AND D-CAMPHOR (464-49-3))
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (.+/-.)-
DL-CAMPHOR (SEE ALSO D-CAMPHOR (464-49-3) AND DL-CAMPHOR (21368-68-3))
IUPAC name4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SMILESCC1(C2CCC1(C(=O)C2)C)C
InchiInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
FormulaC10H16O
PubChem ID2537
Molweight152.237
LogP2.55
Atoms27
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones Bicyclo

mVOC Specific Details

Volatilization
The Henry's Law constant for camphor is estimated as 8.3X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.65 mm Hg(1), and water solubility, 1.570X10+3 mg/L(2). This Henry's Law constant indicates that camphor is expected to volatilize 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 17 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 9 days(SRC). Camphor's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Camphor is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AH; J Chem Eng Data 5: 196-200 (1960) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 721 (2010) (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 camphor can be estimated to be 117(SRC). According to a classification scheme(2), this estimated Koc value suggests that camphor is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of May 21, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.65 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaStreptomyces Albusn/aSchulz and Dickschat, 2007
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiTuber Magnatumn/aItalian geographical areas (Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaStreptomyces Albusn/an/a
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


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-, (.+/-.)-
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)


1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

Compound Details

Synonymous names
CALAMENENE
PGTJIOWQJWHTJJ-UHFFFAOYSA-N
Calamenene II
Calamenene I
AC1L1UQT
AC1Q1GP3
CTK2F5759
(E)-Calamene
1,6-DIMETHYL-4-ISOPROPYLTETRALIN
4-Isopropyl-1,6-dimethyltetralin
(-)-Calamenene
OR105992
OR050362
CHEBI:88799
DTXSID20862006
KB-216176
483-77-2
6617-49-8
22339-23-7
4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
1,2,3,4-Tetrahydro-1,6-dimethyl-4-isopropylnaphthalene
1,2,3,4-TETRAHYDRO-4-ISOPROPYL-1,6-DIMETHYLNAPHTHALENE
4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydro-naphthalene
1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
1,2,3,4-Tetrahydro-1,6-dimethyl-4-(1-methylethyl)naphthalene
NAPHTHALENE,1,2,3,4-TETRAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)-
Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-
(1S-cis)-1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydronaphthalene
NAPHTHALENE 1 2 3 4-TETRAHYDRO-1 6-DIMETHYL-4-(1-METHYLETHYL)- (1S 4S)-
IUPAC name1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(C2=C1C=CC(=C2)C)C(C)C
InchiInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3
FormulaC15H22
PubChem ID10224
Molweight202.341
LogP5.24
Atoms37
Bonds38
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Benzenoids Bicyclo

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
FungiPhoma Sp.n/aStrobel et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
FungiPhoma Sp.n/aSolid phase microextraction (SPME)


4-methylquinoline

Mass-Spectra

Compound Details

Synonymous names
Cincholepidine
gamma-Methylquinoline
Lepidine
MUDSDYNRBDKLGK-UHFFFAOYSA-N
p-Methylquinoline
Lepidene
Lepidin
4-METHYLQUINOLINE
p-methyl quinoline
AC1L1UVN
AC1Q2RAJ
4-Lepidine
ACMC-1AHYH
.gamma.-Methylquinoline
4-methyl quinoline
4-methyl-quinoline
quinol-4-ylmethane
CHEMBL9734
L758
KSC235Q6N
NSC3412
Lepidine (4-Methylquinoline)
SCHEMBL31559
Lepidine, 99%
CTK1D5866
L0024
STR06140
RP20851
4-Methylquinoline, >=99%
CCRIS 2894
HSDB 7153
A22510
A15593
Quinoline, 4-methyl-
HE000809
HE345242
DTXSID7047067
SBB058784
NSC-3412
PS-3771
NSC 3412
M-5284
ZINC1666750
CHEBI:48983
CJ-26989
SC-12713
SC-15612
ST2413199
LS-87752
AJ-29036
DSSTox_GSID_47067
AK-49826
AN-21392
KB-39726
ANW-30727
BR-49826
DSSTox_RID_82083
DSSTox_CID_27067
Lepidine (6CI,8CI)
3S211042
MFCD00006784
3S110963
ZINC01666750
TC-020151
AI3-24277
ST50823863
DB-013319
TX-017072
116169T3O8
AKOS000119150
J-515822
FT-0627792
UNII-116169T3O8
FT-0659357
FT-0083296
BRN 0110926
Z966690984
Tox21_301829
491-35-0
NCGC00184238-02
MCULE-8999201921
NCGC00184238-01
NCGC00256086-01
NCGC00184238-03
NCGC00184238-04
NCGC00184238-05
NCGC00184238-06
NCGC00184238-07
NCGC00184238-08
NCGC00184238-09
NCGC00184238-10
CAS-491-35-0
EINECS 207-734-2
Quinoline, 4-methyl- (9CI)
MolPort-001-781-554
3007-43-0 (hydrochloride)
5-20-07-00389 (Beilstein Handbook Reference)
InChI=1/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H
IUPAC name4-methylquinoline
SMILESCC1=CC=NC2=CC=CC=C12
InchiInChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
FormulaC10H9N
PubChem ID10285
Molweight143.189
LogP2.64
Atoms20
Bonds21
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBicyclo N-Compounds benzenoids pyridines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
261-263 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Volatilization
The Henry's Law constant for 4-methylquinoline is estimated as 7.6X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-methylquinoline is expected to be essentially nonvolatile from water surfaces(2). 4-Methylquinoline is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.4X10-3 mm Hg(3).
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) Walton J; Eng Sci Data Item 77019, p. 29 (1977)
Solubility
Slightly soluble in water
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Soluble in ethanol, ether, and acetone.
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Miscible with alcohol and benzene
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Literature: #Soluble in mineral acid; insoluble in alkali
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5 4875
Literature: #In water, 783 mg/liter @ 25 deg C
Literature: Meylan WM et al; Environ Toxicol Chem 15: 100-106 (1996)
Soil Adsorption
The Koc of 4-methylquinoline is estimated as 630(SRC), using a log Kow of 2.61(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylquinoline is expected to have low mobility in soil(SRC). The pKa of 4-methylquinoline is 5.67(4), indicating that this compound will partially exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 68 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
6.4X10-3 mm Hg @ 20 deg C /Extrapolated/Walton J; Eng Sci Data Item 77019, p. 29 (1977)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


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
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


3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol

Mass-Spectra

Compound Details

Synonymous names
LFYXNXGVLGKVCJ-UHFFFAOYSA-N
2-METHYLISOBORNEOL
2-methyl-isoborneol
AC1L28XX
SCHEMBL50282
ACMC-20n4fu
2-Methyl-2-bornanol
CCRIS 6593
OR116942
OR221823
PL000982
2-exo-Hydroxy-2-methyl-bornan
LS-188264
FT-0613061
2-Bornanol, 2-methyl-
2371-42-8
91278-70-5
95097-54-4
27695-81-4
18680-50-7
145164-18-7
1071630-41-5
2-Norbornanol, 1,2,7,7-tetramethyl-
3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol
1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol
1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol #
(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol
Bicyclo(2.2.1)heptan-2-ol, 1,2,7,7-tetramethyl-, exo-
Bicyclo[2.2.1]heptan-2-ol, 1,2,7,7-tetramethyl-, (1S,2R,4S)-
IUPAC name3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol
SMILESCC1(C2CCC1(C(C2)(C)O)C)C
InchiInChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
FormulaC11H20O
PubChem ID16913
Molweight168.28
LogP2.27
Atoms32
Bonds33
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Bicyclo Alcohols Terpene

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.n/aDickschat et al., 2007
BacteriaCyanobacterian/aDickschat et al., 2007
BacteriaNannocystis Exedens Na E485n/aDickschat et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStreptomyces Lavendulaen/aDickschat et al., 2007
FungiAspergillus NigerSchnürer et al. 1999
FungiPenicillium SolitumSchnürer et al. 1999
BacteriaActinobacteria Sp.n/aStahl and Parkin, 1976
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
BacteriaOscillatoria Chalybean/aSchulz and Dickschat, 2007
BacteriaOscillatoria Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaStreptomyces Alboflavus TD-1n/aWang et al., 2013
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
Fungi Aspergillus NigerPriegnitz et al. 2015
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Penicillium Sp.Larsen and Frisvad 1995
Fungi Streptomyces Sp.Medsker et al. 1969
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaNannocystis Exedens Na E485n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStreptomyces Lavendulaen/an/a
FungiAspergillus Nigermalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium Solitummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
BacteriaActinobacteria Sp.n/an/a
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaOscillatoria Chalybean/an/a
BacteriaOscillatoria Sp.n/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaStreptomyces Alboflavus TD-1Gause's synthetic mediumHeadspace, solid-phase microextraction
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Olivaceus ETH 7437Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
Fungi Aspergillus Nigerno
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Penicillium Sp.no
Fungi Streptomyces Sp.no


2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol

Compound Details

Synonymous names
BOPIMTNSYWYZOC-VNHYZAJKSA-N
beta-Selinenol
beta-Eudesmol
b-eudesmol
.beta.-Eudesmol
AC1Q718P
AC1L3M44
CHEMBL88244
C15H26O
N2445
CTK8G3977
X1127
SCHEMBL310604
C09664
OR009124
OR272498
UNII-9Z7579U8XZ component BOPIMTNSYWYZOC-VNHYZAJKSA-N
CHEBI:10417
ZINC4098262
AN-45142
LS-94778
6R61524P48
AKOS030254844
UNII-6R61524P48
Ambap473-15-4
473-15-4
beta-Eudesmol, >=90% (GC)
MolPort-003-927-230
Eudesm-4(14)-en-11-ol
(2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol
(2R,4aR,8aS)-Decahydro-8-methylene-|A,|A,4a-trimethyl-2-naphthylmethanol
Eudesm-4(14)-en-11-ol (8CI)
2-Naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-
2-[(2R,4aR,8aS)-4a-methyl-8-methylidenedecahydronaphthalen-2-yl]propan-2-ol
2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propan-2-ol
2-Naphthalenemethanol, decahydro-8-methylene-alpha,alpha,4a-trimethyl-, (2R-(2-alpha,4a-alpha,8a-beta)-
2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
IUPAC name2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
SMILESCC12CCCC(=C)C1CC(CC2)C(C)(C)O
InchiInChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1
FormulaC15H26O
PubChem ID91457
Molweight222.372
LogP3.53
Atoms42
Bonds43
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


3,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene

Compound Details

Synonymous names
ZLCRBFJQCPQSGZ-UHFFFAOYSA-N
AC1L4F6Y
CTK2H7947
2-Methyl-2-bornene
OR291679
OR333499
72540-93-3
3,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene
1,2,7,7-Tetramethylbicyclo[2.2.1]hept-2-ene #
Bicyclo(2.2.1)hept-2-ene, 1,2,7,7-tetramethyl-
Bicyclo[2.2.1]hept-2-ene, 1,2,7,7-tetramethyl-, (1S,4R)-
IUPAC name3,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene
SMILESCC1=CC2CCC1(C2(C)C)C
InchiInChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h7,9H,5-6H2,1-4H3
FormulaC11H18
PubChem ID155902
Molweight150.265
LogP3.1
Atoms29
Bonds30
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaNannocystis Exedens Na E485n/aDickschat et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiPenicillium Cyclopiumcompost Fischer et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaNannocystis Exedens Na E485n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiPenicillium Cyclopiumyest extract sucroseTenax/GC-MSno


(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

Compound Details

Synonymous names
Absinthol
THUJONE
Thujon
alpha-Thujone
dl-Thujone
l-Thujone
AC1Q1NPJ
racemic 3-Isothujone
AC1L65FD
R0SQ9G0DU5
GTPL5344
ALPHA- -THUJONE
UNII-86HK1QRJ4K component USMNOWBWPHYOEA-MRTMQBJTSA-N
UNII-R0SQ9G0DU5
SCHEMBL122447
HMS3039B05
CHEBI:9577
CCRIS 8582
C09906
DTXSID3026148
LS-2152
CHEMBL1444078
OR040613
OR282791
ZINC4098408
DSSTox_CID_6148
AN-21370
NSC 93742
DSSTox_GSID_40774
DSSTox_GSID_26148
(-)-alpha-thujone
alpha-(-)-Thujone
MFCD00001313
DSSTox_RID_79595
DSSTox_RID_78036
(+-)-Isothujone
LS-153761
(-)-|A-Thujone
(-)-alpha,beta-Thujone
(-)-3-Isothujone
SMR000568469
MLS001065588
BRN 4660369
(-)-3-thujanone
LMPR0102120019
Tox21_301840
Tox21_200868
Isothujone, (-)-
546-80-5
NCGC00091438-02
NCGC00091438-01
NCGC00164360-01
NCGC00255622-01
NCGC00258422-01
EINECS 208-912-2
CAS-546-80-5
59573-80-7
3-Thujanone, (-)-
MolPort-001-793-638
CAS-76231-76-0
3-Thujanone, (+-)-
(1S,4R,5R)-thujan-3-one
(1S,4R,5R)-(-)-3-thujanone
(-)-alpha-Thujone, >=96.0% (GC)
3-Thujanone, (1S,4R,5R)-(-)-
(1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
(1S,4R,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
(1R,2R,5S)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
(1R,2R,5S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-3-one
(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
[1S-(1alpha,4alpha,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1-alpha,4-alpha,5-alpha)-(+-)- (9CI)
Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1-alpha,4-alpha,5-alpha)-(+-)-
IUPAC name(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILESCC1C2CC2(CC1=O)C(C)C
InchiInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
FormulaC10H16O
PubChem ID261491
Molweight152.237
LogP2.28
Atoms27
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones Bicyclo

mVOC Specific Details

Boiling Point
DegreeReference
203 deg CLewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1241
Volatilization
The Henry's Law constant for alpha,beta-thujone is estimated as 1.6X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that alpha,beta-thujone is expected to volatilize 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 days(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 26 days(SRC). alpha,beta-Thujone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha,beta-Thujone is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.45 mm Hg(SRC), determined from a fragment constant method(3).
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; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 13, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Solubility
In water, 407 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 12, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Practically insoluble in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1739
Literature: #Soluble in alcohol and many organic solvents
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1739
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha,beta-thujone can be estimated to be 390(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha,beta-thujone is expected to have very moderate mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 13, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.449 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 12, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiGanoderma LucidumnaGC/MSNo
BacteriaStreptomyces Caviscabiesn/an/a


Isoquinoline-1-carbonitrile

Mass-Spectra

Compound Details

Synonymous names
isoquinolinecarbonitrile
Isoquinaldonitrile
cyanoisoquinoline
1-Isoquinolinecarbonitrile
isoquinaldinic nitrile
HJHXYSBRTVFEDD-UHFFFAOYSA-N
1-Cyanoisoquinoline
1-isoquinoline carbonitrile
isoquinoline-1-carbonitrile
soquinoline-1-carbonitrile
1-cyano-isoquinoline
AC1Q4R1Q
AC1Q4R5A
AC1Q4R1R
ACMC-1BQ9Y
PubChem6269
1-cyanoisoquinoline 98%
AC1L782U
1-Isoquinolinecarbonitrile, 99%
RW3250
HMS547I02
X9400
CTK0I0414
CC-973
VQ10042
SCHEMBL251028
RP01845
AB03726
BIDD:GT0021
ACT01936
ZINC112431
NSC203335
ZB003770
STK774048
SBB002487
QC-2110
PS-5499
AM807134
HE240440
HE001040
S-3149
DTXSID20308378
BR-44707
CCG-45292
STOCK1S-02968
ANW-48030
ST4094265
ST2407058
SC-54250
AB0035124
AK-44707
AN-48849
AJ-11375
KB-11990
Maybridge1_002114
ZINC00112431
ZERO/005055
MFCD00134166
DB-004631
TC-136775
timtec-bb sbb002487
NSC-203335
W-205071
AKOS001295409
FT-0627508
EN300-25592
MCULE-7137840271
1198-30-7
125771-26-8
MolPort-000-514-719
AQ-776/40170967
SR-01000635070-1
IUPAC nameisoquinoline-1-carbonitrile
SMILESC1=CC=C2C(=C1)C=CN=C2C#N
InchiInChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H
FormulaC10H6N2
PubChem ID306057
Molweight154.172
LogP1.99
Atoms18
Bonds19
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Bicyclo N-Compounds terpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a


(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

Compound Details

Synonymous names
delta-Amorphene
DELTA-CADINENE
AC1L9ADP
C6H8P2
6614AB
X3450
CHEMBL445759
7848KI47OS
C06394
AK110299
ZINC8220462
UNII-7848KI47OS
CHEBI:15385
DTXSID70858792
AJ-57371
(+)-delta-Cadinene
AKOS016008860
(1S,8aR)-delta-cadinene
(+)-D-Cadinene
LMPR0103330001
483-76-1
Cadina-1(10),4-diene
(1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
(1S,8aR)-1-isopropyl-4,7-di-methyl-1,2,3,5,6,8a-hexahydronaphthalene
(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
(1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene
IUPAC name(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
SMILESCC1=CC2C(CCC(=C2CC1)C)C(C)C
InchiInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
FormulaC15H24
PubChem ID441005
Molweight204.357
LogP4.4
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiArmillaria Mellean/aMueller et al., 2013
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPholiota Squarrosan/aMueller et al., 2013
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiLaccaria Bicolor S238NnanaDitengou et al., 2015
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiAspergillus UstusPolizzi et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiLaccaria Bicolor S238Nmodified Pachlewski mediumcapillary gas chromatography, GC/MSYes
FungiPiptoporus BetulinusnaGC/MSNo
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Citreusn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiAspergillus Ustusmalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS


(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

Mass-Spectra

Compound Details

Synonymous names
CALAMENENE
PGTJIOWQJWHTJJ-STQMWFEESA-N
cis-Calamenene
AC1O57ER
(Z)-calamenene
CTK1D6110
ZINC85880350
Cadina-1,3,5-triene
IT SHOULD BE NOTED THAT cis-calamenene is eluted late vs trans-calamenene
(1S,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
(1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)-
IUPAC name(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(C2=C1C=CC(=C2)C)C(C)C
InchiInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1
FormulaC15H22
PubChem ID6429077
Molweight202.341
LogP5.24
Atoms37
Bonds38
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Benzenoids Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiArmillaria Mellean/aMueller et al., 2013
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPholiota Squarrosan/aMueller et al., 2013
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol

Compound Details

Synonymous names
Valerianol
MQWIFDHBNGIVPO-KYOSRNDESA-N
SCHEMBL2844420
20489-45-6
IUPAC name2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
SMILESCC1CCC=C2C1(CC(CC2)C(C)(C)O)C
InchiInChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
FormulaC15H26O
PubChem ID9859337
Molweight222.372
LogP3.47
Atoms42
Bonds43
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols Alkenes Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiacan/an/a


2-[(2R,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-ol

Compound Details

Synonymous names
Rosifoliol
SRHDLIDOZXPROB-JMSVASOKSA-N
63891-61-2
IUPAC name2-[(2R,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-ol
SMILESCC1CCCC2(C1=CC(CC2)C(C)(C)O)C
InchiInChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3/t11-,12-,15+/m1/s1
FormulaC15H26O
PubChem ID10727766
Molweight222.372
LogP3.47
Atoms42
Bonds43
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols Alkenes Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


Compound Details

Synonymous names
isodihydroagarofuran
Deoxyisobaimuxinol
Dihydroagarofuran
alpha-Dihydroagarofuran
Dihydro-alpha-agarofuran
20053-66-1
2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, (3R-(3alpha,5aalpha,9beta,9aalpha))-
IUPAC name
SMILESCC1CCCC2(C13CC(CC2)C(O3)(C)C)C
InchiInChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1
FormulaC15H26O
PubChem ID10775429
Molweight222.372
LogP3.96
Atoms42
Bonds44
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ethers Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Citreusn/an/a


(1S,4E,8E,10R)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene

Compound Details

Synonymous names
Bicyclogermacrene
trans-Bicyclogermacradiene
VPDZRSSKICPUEY-IBYSFASBSA-N
(?)-Isolepidozene
(+)-bicyclogermacrene
OR325726
BICYCLO[8.1.0]UNDECA-2,6-DIENE, 3,7,11,11-TETRAMETHYL-,(1R,2E,6E,10S)-
IUPAC name(1S,4E,8E,10R)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene
SMILESCC1=CCCC(=CC2C(C2(C)C)CC1)C
InchiInChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m0/s1
FormulaC15H24
PubChem ID11820258
Molweight204.357
LogP4.46
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Citreusn/an/a


(1S,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene

Compound Details

Synonymous names
Muurolene
alpha-Muurolene
B1-Cadinene
C20272
CHEBI:64797
(+)-alpha-muurolene
DTXSID90144629
10208-80-7
(1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
(1S,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene
Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4aalpha,8aalpha))-
IUPAC name(1S,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
SMILESCC1=CC2C(CC1)C(=CCC2C(C)C)C
InchiInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1
FormulaC15H24
PubChem ID12306047
Molweight204.357
LogP4.45
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiAspergillus Vesicolorcompost Fischer et al. 2041
FungiLaccaria Bicolor S238NnanaDitengou et al., 2015
FungiPenicillium Glabrumcompost Fischer et al. 2041
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiAspergillus UstusPolizzi et al., 2012
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
FungiLaccaria Bicolor S238Nmodified Pachlewski mediumcapillary gas chromatography, GC/MSYes
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
BacteriaChondromyces Crocatusn/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiAspergillus Ustusmalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiFomitopsis PinicolanaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo


(1S,4aS,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

Compound Details

Synonymous names
gamma-Muurolene
(?)-gamma-Muurolene
C20273
CHEBI:64798
(+)-gamma-muurolene
24268-39-1
(1S,4aS,8aR)-1-isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
(1S,4aS,8aR)-7-methyl-4-methylene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
IUPAC name(1S,4aS,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
SMILESCC1=CC2C(CC1)C(=C)CCC2C(C)C
InchiInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1
FormulaC15H24
PubChem ID12313020
Molweight204.357
LogP4.51
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiArmillaria Mellean/aMueller et al., 2013
FungiFusarium Culmorum PVnasandy dune soil, NetherlandsSchmidt et al., 2016
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiFusarium Culmorum PVpotato dextrose agarGC/MS-Q-TOFNo
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiFomitopsis PinicolanaGC/MSNo


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

Compound Details

Synonymous names
SCHEMBL11672007
(1R,6S,10S)-6,10-Dimethylbicyclo[4.4.0]decane-3-one
IUPAC name(4aS,8S,8aR)-4a,8-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
SMILESCC1CCCC2(C1CC(=O)CC2)C
InchiInChI=1S/C12H20O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h9,11H,3-8H2,1-2H3/t9-,11+,12-/m0/s1
FormulaC12H20O
PubChem ID14298891
Molweight180.291
LogP3.07
Atoms33
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBicyclo Ketones terpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


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

Compound Details

Synonymous names
JLPUXFOGCDVKGO-TUAOUCFPSA-N
GEOSMIN
AC1L1I2Q
MYW912WXJ4
UNII-MYW912WXJ4
SCHEMBL50009
C16286
OR238484
4,8a-Dimethyl-decahydronaphthalen-4a-ol
OR031361
4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol
CHEMBL2374043
CHEBI:46702
ZINC3870304
(-)-geosmin
LS-95000
trans-1,10-dimethyl-trans-decalol
Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol
AKOS006282977
trans-1,10-Dimethyl-trans-9-decalol
4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #
Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol
NCGC00165950-01
EINECS 243-239-8
19700-21-1
4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-
(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol
4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl- (8CI)
(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol
4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-
(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-
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
Molweight182.307
LogP3.17
Atoms35
Bonds36
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Bicyclo Alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.n/aDickschat et al., 2007
BacteriaCyanobacterian/aDickschat et al., 2007
BacteriaMyxobacterium Spp.n/aDickschat et al., 2007
BacteriaMyxococcus Xanthusn/aNawrath et al., 2008
BacteriaNannocystis Exedens Na E485n/aDickschat et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Griseusn/aNawrath et al., 2008
BacteriaStreptomyces Spp.n/aDickschat et al., 2007
BacteriaActinobacteria Sp.n/aStahl and Parkin, 1976
BacteriaAnabaena Sp.n/aSchulz and Dickschat, 2007
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaLyngbyan/aSchulz and Dickschat, 2007
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedensn/aSchulz and Dickschat, 2007
BacteriaOscillatoria Sp.n/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus IMRU 3491nanaGerber and Lechavelier, 1967
BacteriaStreptomyces Antibioticus IMRU 3720nanaGerber and Lechavelier, 1966
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Coelicolorn/aDickschat et al., 2005
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Fradiae IMRU 3535nanaGerber and Lechavelier, 1968
BacteriaStreptomyces Fradiae IMRU 3535-R7nanaGerber and Lechavelier, 1969
BacteriaStreptomyces Griseusn/aDickschat et al., 2005
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus LP-16nanaGerber and Lechavelier, 1965
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Odorifer IMRU 3334nanaGerber and Lechavelier, 1970
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Sulfureusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
FungiArmillaria Mellean/aMueller et al., 2013
Fungi Aspergillus NigerPriegnitz et al. 2015
Fungi Chaetomium GlobosumKikuchi et al. 1983
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium DiscolorSchnürer et al. 1999
FungiPenicillium Expansumn/aMattheis and Roberts, 1992
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Penicillium Sp.Larsen and Frisvad 1995
FungiPholiota Squarrosan/aMueller et al., 2013
Fungi Streptomyces GriseusGerber and Lechevalier 1965
FungiVerticillium Longisporumn/aMueller et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaNannocystis Exedens Na E485n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Griseusn/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaActinobacteria Sp.n/an/a
BacteriaAnabaena Sp.n/an/a
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaLyngbyan/an/a
BacteriaMarine Streptomycete (isolate B6007)n/an/a
BacteriaNannocystis Exedensn/an/a
BacteriaOscillatoria Sp.n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomyces Albidoflavusn/an/a
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albusn/an/a
BacteriaStreptomyces Albus IFO 13014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticusn/an/a
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus IMRU 3491PablumGC
BacteriaStreptomyces Antibioticus IMRU 3720SBM/Pablum GC
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Citreusn/an/a
BacteriaStreptomyces Coelicolorn/an/a
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Fradiae IMRU 3535PablumGC
BacteriaStreptomyces Fradiae IMRU 3535-R7SBM Pablum GC
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus LP-16YD + CaCO3/SBM/Pablum GC
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Odorifer IMRU 3334YD + CaCO3/SBM/Pablum GC
BacteriaStreptomyces Olivaceus ETH 7437Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp. AMI 243Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sulfureusn/an/a
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi Aspergillus Nigerno
Fungi Chaetomium Globosumno
FungiPenicillium Commune PittDG18,MEAGC/MS
FungiPenicillium Discolormalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium Expansumn/an/a
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Penicillium Sp.no
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi Streptomyces Griseusno
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS