Results for:
Species: Hypoxylon antochroum Blaci

2-phenylethanol

Mass-Spectra

Compound Details

Synonymous names
Hydroxyethylbenzene
Phenethylalcohol
Benzeneethanol
Benzylcarbinol
Benzylmethanol
betaphenylethyl alcohol
Benzenethanol
Phenylethanol
beta-Fenethylalkohol
Phenethanol
Phenylethyl alcohol
beta-Fenylethanol
beta-Phenylethanol
Phenethyl alcohol
WRMNZCZEMHIOCP-UHFFFAOYSA-N
2-Hydroxyethylbenzene
benzene-ethanol
Benzyl carbinol
beta-Phenylethyl alcohol
Mellol
PEL
Phenyl ethyl alcohol
2-PHENYLETHANOL
.beta.-Hydroxyethylbenzene
2-Phenethanol
2-Phenylethyl alcohol
AC1Q7CJQ
AC1Q7CJR
beta-PEA
2-Phenethyl alcohol
ACMC-1AZIH
b-pea
Phenethyl Alcohol-d5
Phenyl Ethanol(Natural)
.beta.-Fenethylalkohol
.beta.-Fenylethanol
.beta.-Phenylethanol
2-phenyl ethanol
2-PHENYL-ETHANOL
AC1L1LP9
AC1Q1HG6
beta-Fenethylalkohol [Czech]
.beta.-Phenethanol
.beta.-Phenylethyl alcohol
2-PEA
Methanol, benzyl-
Phenethyl alcohol (natural)
Phenylethyl Alcohol, pharmaceutical secondary standard; traceable to USP
Phenylethyl, beta- alcohol
SCHEMBL1838
.beta.-Phenethyl alcohol
2-Phenylethanol, USP
beta-Fenylethanol [Czech]
KSC237A2B
Phenylethyl alcohol (USP)
S992
PHENYLETHYL, B- ALCOHOL
BDBM85807
ML9LGA7468
P0084
W6811
WLN: Q2R
.beta.-PEA
AS00558
CHEMBL448500
DB02192
NE10237
Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard
RL04267
1-Phenyl-2-ethanol
2-phenyl-1-ethanol
2-Phenylethan-1-Ol
bmse000659
C05853
D00192
HMS2093H05
HMS2233H06
HMS3374P04
HSDB 5002
UNII-ML9LGA7468
ZINC895934
2-(2-Hydroxyethyl)benzene
2-Phenylethanol, 99%
BC213746
DTXSID9026342
FEMA Number 2858
LS-2335
NSC_6054
NSC406252
NSC759116
OR034298
OR213561
OR262447
OR279817
SBB040879
STL281950
ZB015067
A832606
CHEBI:49000
DSSTox_CID_6342
Ethanol, 2-phenyl-
AC-18484
AK-59815
AN-23631
ANW-13578
Caswell No. 655C
DSSTox_GSID_26342
EBD2219942
KB-59529
Rose oil (Salt/Mix)
SC-46713
STOCK1N-73254
DSSTox_RID_78104
MFCD00002886
ZINC00895934
AI3-00744
CCG-213419
NSC 406252
NSC-406252
NSC-759116
RTR-037232
ST50214476
TR-037232
AKOS000249688
EPA Pesticide Chemical Code 001503
I01-4509
Q-200318
BRN 1905732
FEMA No. 2858
MLS001066349
MLS001336026
SMR000059156
60-12-8
Z234896351
EN300-19347
ETHYL, 2-HYDROXY-1-PHENYL-
Tox21_113544
Tox21_201322
Tox21_303383
F0001-1575
Phenethyl alcohol, >=99%, FCC, FG
.beta.-P.E.A.
CAS_60-12-8
CAS-60-12-8
1321-27-3
MCULE-8439044075
NCGC00166215-01
NCGC00166215-02
NCGC00166215-03
NCGC00166215-05
NCGC00257347-01
NCGC00258874-01
AB00698274_05
EINECS 200-456-2
Pharmakon1600-01505398
2-Phenylethanol, 98% 250g
Phenethyl alcohol, natural, >=99%, FCC, FG
SR-01000763553
Tox21_113544_1
SBI-0206858.P001
2-Phenylethanol, >=99.0% (GC)
MolPort-000-872-041
12472-EP2287158A1
12472-EP2311801A1
12472-EP2316826A1
12472-EP2372017A1
37330-EP2284157A1
37330-EP2311802A1
37330-EP2311803A1
37330-EP2371814A1
47427-EP2295426A1
47427-EP2295427A1
47427-EP2305673A1
47427-EP2308877A1
47427-EP2311834A1
47427-EP2374783A1
66877-EP2270505A1
66877-EP2281823A2
66877-EP2292612A2
66877-EP2295406A1
66877-EP2298731A1
66877-EP2298772A1
66877-EP2308839A1
196135-EP2272972A1
196135-EP2272973A1
196135-EP2277872A1
SR-01000763553-2
4-06-00-03067 (Beilstein Handbook Reference)
0DE4CADC-AB8A-4038-BD6F-EBD009885652
InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H
IUPAC name2-phenylethanol
SMILESC1=CC=C(C=C1)CCO
InchiInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
FormulaC8H10O
PubChem ID6054
Molweight122.167
LogP1.49
Atoms19
Bonds19
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols Alcohol

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 deg C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol's relatively low Henry's Law constant and vapor pressure suggest that volatilization from moist and dry soil surfaces will be minimal(SRC).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982)
Soil Adsorption
Using an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
8.68X10-2 mm Hg @ 25 deg C /from experimentally derived coefficients/Daubert, 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
BacteriaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaStaphylococcus Aureusn/aPreti et. al., 2009
Fungi Aspergillus Sp.Seifert and Kling 1982
Fungi Chaetomium GlobosumKikuchi et al. 1983
Fungi Fusarium Sp.Takeuchi et al. 2012
Fungi Hypoxylon AnthochroumUlloa-Benitez et al. 2016
Fungi Lasiodiplodia TheobromaeMatsumoto and Nago 1994
Fungi Penicillium SppBrock and Dickschat 2013
Fungi Trichoderman Sp.Stoppacher et al. 2010
Fungi Tuber SppSplivallo et al. 2007
BacteriaArctic Bacteriumn/aSchulz and Dickschat, 2007
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222 358RhizosphereBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Kururiensis LMG 19447n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Sordidicola LMG 22029n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCitrobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaCorynebacterium Accolens V12028clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12131clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12209clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Minutissimum ATCC 23348clinical isolate,trunk of adult femaleLemfack et al. 2016
BacteriaCorynebacterium Striatum RV2clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Striatum V6894clinical isolateLemfack et al. 2016
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaEnterobacter AgglomeransRobacker and Lauzon 2002
BacteriaEnterobacter Spp.n/aSchulz and Dickschat, 2007
BacteriaEscherichia Coli ATCC43895American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaEscherichia Sp.n/aSchulz and Dickschat, 2007
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaKlebsiella Sp.n/aSchulz and Dickschat, 2007
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
BacteriaMycobacterium Bovisn/aMCNerney et al., 2016
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaRoseobacter Claden/aSchulz and Dickschat, 2007
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Odorifera DSM 4582n/aWeise et al., 2014
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ATCC 29061Southernflying squirrel skinLemfack et al. 2016
BacteriaStaphylococcus Sciuri H4286clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ORclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri V405clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri Yclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
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 Olivaceus ETH 6445n/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
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaUrkholderia Kururiensis LMG 19447RhizosphereBlom et al., 2011
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Aureobasidium Pullulans FN868849applesDavis et al. 2012
FungiAureobasidium Pullulans FN868851attracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al., 2012
FungiFusarium SpPierce et al. 1991
FungiPenicillium CorymbiferumPierce et al. 1991
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al., 2012
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiSaccharomyces Cerevisiae CR1control citrus black spot disease fermentation processesToffano et al. 2017
FungiScolulariopsis BrevicaulisPierce et al. 1991
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber IndicumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber MelanosporumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiVerticillium Longisporumcollection TU GrazRybakova et al. 2017
BacteriaBranhamella CatatthalisclinicPreti., 2009
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
FungiHansenula Holstiiwhole beetles, beetle guts, loblolly pineBrand et al. 1977
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
FungiPhoma Sp.n/aStrobel et al., 2014
FungiPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al., 2011
BacteriaSerratia Plymuthica 3Re4-18n/aKai et al., 2007
BacteriaSerratia Plymuthica HRO-C48n/aKai et al., 2007
BacteriaStaphylococcus Epidermidis 2P3-18n/aKai et al., 2007
BacteriaStenotrophomonas Rhizophila P69n/aKai et al., 2007
FungiTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
BacteriaEnterobacter Cloacaen/aArnold and Senter, 1998
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudomonas Aeruginosan/aArnold and Senter, 1998
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
FungiPhellinus Sp.n/aStotzky and Schenk, 1976
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
FungiAmpelomyces Sp. F-a-3nanaNaznin et al., 2014
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiCandida SakeKing George Island, South Shetland Islands, AntarcticaArrarte et al. 2017
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiPhoma Sp. GS8-3nanaNaznin et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiTrichoderma AtrovirideCrutcher et al., 2013
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus Aureusblood/choclate agarGC-Ms flame photometric detectorno
BacteriaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS
Fungi Aspergillus Sp.no
Fungi Chaetomium Globosumno
Fungi Fusarium Sp.no
Fungi Hypoxylon Anthochroumno
Fungi Lasiodiplodia Theobromaeno
Fungi Penicillium Sppno
Fungi Trichoderman Sp.no
Fungi Tuber Sppno
BacteriaArctic Bacteriumn/an/a
BacteriaBacillus Cereus B-569LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBurkholderia Fungorum LMG 16225MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Kururiensis LMG 19447LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sordidicola LMG 22029AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCitrobacter Sp.n/an/a
BacteriaCorynebacterium Accolens V12028brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12131brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12209brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Minutissimum ATCC 23348brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum RV2brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum V6894brain heart infusion mediumPorapak / GC/MSno
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaEnterobacter Agglomeransno
BacteriaEnterobacter Spp.n/an/a
BacteriaEscherichia Coli ATCC43895TS brothGC-MS Super Qno
BacteriaEscherichia Coli OP50LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Sp.n/an/a
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaKlebsiella Sp.n/an/a
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaMarine Streptomycete (isolate B6007)n/an/a
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaMyxobacterium Spp.n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaPseudomonas Fluorescens WCS 417rMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaRoseobacter Claden/an/a
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSerratia Entomophilia A1MO2LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Marcescens MG1LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Odorifera DSM 4582NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica HRO-C48MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans B5aLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ATCC 29061brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri H4286brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ORbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri V405brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri Ybrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Xylosusn/an/a
BacteriaStenotrophomonas Rhizophilla Ep10-p69LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68n/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaUrkholderia Kururiensis LMG 19447LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Aureobasidium Pullulans FN868849Sabouraud dextrose agarGC-MSyes
FungiAureobasidium Pullulans FN868851Sabouraud Dextrose AgarGC/FIDYes
FungiFusarium SpGC-FIDyes
FungiPenicillium CorymbiferumGC-FIDyes
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiSaccharomyces Cerevisiae CR1YEPDAGC/MSno
FungiScolulariopsis BrevicaulisGC-FIDyes
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/an/a
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/an/a
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
BacteriaBranhamella CatatthalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiHansenula HolstiiPYGGC-MSno
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaStaphylococcus Sciuri877 liquid mediumSPME-GC/MS
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiPhomopsis Sp.PDA mediumSPME-GC/MSYes
BacteriaSerratia Plymuthica 3Re4-18n/an/a
BacteriaSerratia Plymuthica HRO-C48n/an/a
BacteriaStaphylococcus Epidermidis 2P3-18n/an/a
BacteriaStenotrophomonas Rhizophila P69n/an/a
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaEnterobacter CloacaeHS-SPME/GC-MS
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudomonas AeruginosaHS-SPME/GC-MS
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
FungiPhellinus Sp.n/an/a
FungiTuber Aestivumn/an/a
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
FungiAmpelomyces Sp. F-a-3naSPME-GC/MSNo
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSYes
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiPhoma Sp. GS8-3naSPME-GC/MSNo
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
FungiXylaria Sp.PDA mediumSPME-GC/MSYes


2-methylbutan-1-ol

Mass-Spectra

Compound Details

Synonymous names
QPRQEDXDYOZYLA-UHFFFAOYSA-N
sec-Butylcarbinol
DL-sec-Butylcarbinol
2-Methylbutanol
Primary active amyl alcohol
Active amyl alcohol
Active primary amyl alcohol
AC1L1RKY
2-Methylbutyl alcohol
dl-sec-Butyl carbinol
2-methyl butanol
2-methyl-butanol
ACMC-1AU5T
KSC174S1N
AC1Q2S95
Nat.L-2-Methylbutanol
3-Methyl iso-butanol
7337AF
NSC8431
2-Methyl-n-butanol
CTK0H4916
M0175
RP18502
CHEMBL451923
ACMC-209de6
NE10348
2-Methylbutan-1-ol
HSDB 5626
CH3CH2CH(CH3)CH2OH
CCRIS 8805
2-METHYL-1-BUTANOL
2-Methyl butanol-1
LTBB003178
OR299404
NSC-8431
DTXSID5027069
NSC 8431
OR035255
Jsp002256
DSSTox_CID_7069
Butanol, 2-methyl-
CHEBI:48945
(-)2-methylbutanol
DSSTox_GSID_27069
AN-23135
L-2-Methyl-1-butanol
LS-46573
DL-2-Methyl-1-butanol
D-2-METHYL-1-BUTANOL
ANW-42009
TRA0021730
AN-19734
SC-94933
SC-08990
2-Methyl-1-butanol, analytical standard
Methyl-2-butan-1-ol
DSSTox_RID_78299
LMFA05000104
2-Methyl-Butan-1-Ol
MFCD00004743
DB-003288
TR-004975
RTR-004975
AI3-24190
J-510045
AKOS009159118
(+)-2-methylbutanol
FT-0691797
FT-0612896
BRN 1718810
DL-2-METHYL-1-BUTANOL, PRACT
I14-16605
1-Butanol, 2-methyl-
WLN: Q1Y2 & 1
Tox21_303200
Tox21_201558
F0001-0469
137-32-6
2-Methyl-1-butanol, >=99%
3B1-001142
NCGC00259107-01
MCULE-6521026296
NCGC00249069-01
( inverted exclamation markA)-2-Methyl-1-butanol
NCGC00256976-01
CAS-137-32-6
EINECS 205-289-9
EINECS 252-163-4
34713-94-5
(1)-2-Methylbutan-1-ol
2-Methyl-1-butanol, >=99%, FG
MolPort-001-783-235
2-Methyl-1-butanol, natural, 99%, FG
(+/-)-2-Methyl-1-butanol
4-01-00-01666 (Beilstein Handbook Reference)
(+/-)-2-Methyl-1-butanol, >=98.0% (GC)
IUPAC name2-methylbutan-1-ol
SMILESCCC(C)CO
InchiInChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
FormulaCH3CH2CH(CH3)CH2OH
PubChem ID8723
Molweight88.15
LogP1.17
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

Volatilization
2-Methyl-1-butanol has an experimentally measured Henry's Law constant of 1.41X10-5 atm-cu m/mole at 25 deg C(1). This value of Henry's Law constant indicates that volatilization from environmental waters is slow, but may be significant from shallow rivers(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 61 hr(2,SRC). Volatilization half-life from an model environmental pond can be estimated to be about 28 days(3,SRC).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 15-15 to 15-29 (1982) (3) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
Based upon a water solubility of 30,000 mg/l at 25 deg C(1), the Koc for 2-methyl-1-butanol can be estimated to be 15 from a regression-derived equation(2,SRC). Based upon a measured log Kow of 1.29(3), the Koc for 2-methyl-1-butanol can be estimated to be 120 from a regression-derived equation(2,SRC). These BCF values suggest that 2-methyl-1-butanol has high to very high soil mobility(4).
Literature: (1) Barton AFM; Alcohols With Water. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 15 (1984) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill p. 4-9 (1982) (3) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (4) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
3.13 mm Hg at 25 deg CDaubert TE; Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaEscherichia Coli ATCC15547American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaMycobacterium Bovisn/aMCNerney et al., 2015
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
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 Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)DSMZWeikl et al. 2017
FungiArmillaria Mellean/aMueller et al., 2013
FungiAspergillus Candiduscompost Fischer et al. 2053
FungiAspergillus Fumigatuscompost Fischer et al. 2053
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiAspergillus Vesicolorcompost Fischer et al. 2053
Fungi Aureobasidium Pullulans FN868849applesDavis et al. 2012
FungiAureobasidium Pullulans FN868850attracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al., 2012
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
FungiCandida Tropicalisn/aBunge et al., 2008
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEmericella Nidulanscompost Fischer et al. 2053
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaecilomyces Variotiicompost Fischer et al. 2053
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium Clavigerumcompost Fischer et al. 2053
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium Glabrumcompost Fischer et al. 2053
FungiPholiota Squarrosan/aMueller et al., 2013
FungiRhizoctonia Solani AG2-2 IIIBcollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
FungiRhizopus Stolonifern/aMeruva et al., 2004
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiSaccharomyces Cerevisiae CR1control citrus black spot disease fermentation processesToffano et al. 2017
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiTuber Aestivumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiVerticillium Longisporumn/aMueller et al., 2013
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2015
BacteriaActinomycetes Spp.Is weakly active against wood-decaying fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Rhamnosus LSL 212nanaPogačić et al., 2016
FungiTuber AestivumnaTarsul (as normal forest); Daix (man made orchard)Molinier et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaEscherichia Colin/an/a
BacteriaEscherichia Coli ATCC15547TS brothGC-MS Super Qno
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaSalmonella Enterican/an/a
BacteriaShigella Flexnerin/an/a
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 13387n/an/a
BacteriaStreptomyces Aureofaciens ETH 28832n/an/a
BacteriaStreptomyces Coelicolor ATCC 21666n/an/a
BacteriaStreptomyces Coelicolor DSM 40233n/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822n/an/a
BacteriaStreptomyces Diastatochromogenes IFO 13814n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)malt extract agarSBSE-GC-MSno
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiAspergillus OrnatusPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
Fungi Aureobasidium Pullulans FN868849Sabouraud dextrose agarGC-MSyes
FungiAureobasidium Pullulans FN868850Sabouraud Dextrose AgarGC/FIDYes
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
FungiCandida Tropicalisn/an/a
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSYes
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
FungiPaecilomyces Variotii BainDG18,MEAGC/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
FungiPencillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiPenicillium Commune PittDG18,MEAGC/MS
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiRhizoctonia Solani AG2-2 IIIBPotato Dextrose Agar6Tenax TA / TDGC-MSyes
FungiRhizopus StoloniferPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiSaccharomyces Cerevisiae CR1YEPDAGC/MSno
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
BacteriaActinomycetes Spp.n/an/a
BacteriaLactobacillus Rhamnosus LSL 212curd-based broth mediumGC/MSYes
FungiTuber AestivumnaSPME-GC/MSNo


2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Monocyclic terpenealcohols
CARVOMENTHENOL
Terpineol schlechthin
TERPINEOLS
Terpenol
Terpineol
WUOACPNHFRMFPN-UHFFFAOYSA-N
alpha-Terpinenol
alpha-TERPINEOL
Terpene alcohol
Terpineol Normal
alpha-Terpineol, primary pharmaceutical reference standard
TERPINEOL OR
alpha-Terpineol, AldrichCPR
alpha-Terpineol, analytical standard
dl-alpha-Terpineol
TERPINEOL, ALPHA
DL a-terpineol
Terpineol, mixed isomers
1-alpha-terpineol
Mixture of p-methenols
Terpineol (natural)
.alpha.-Terpineol
Alpha-Terpineol, Mixture of Isomers
Terpilenol, alpha-
AC1L29B5
alpha-Terpineol (natural)
KSC486Q4B
Terpineol 350
SCHEMBL28466
CTK3I6840
V0385
CHEMBL449810
NSC21449
PC 593
C16772
CCRIS 3204
HSDB 5316
1-.alpha.-Terpineol
1-Menthene-8-ol
AK122298
DTXSID5026625
FEMA Number 3045
LS-3106
NSC403665
OR034447
OR126371
OR342936
OR343294
SBB061191
4-Trimethyl-3-cyclohexene-1-methanol
CHEBI:22469
DSSTox_CID_6625
AN-18294
AN-19422
AN-24486
DSSTox_GSID_26625
DSSTox_GSID_40775
NSC 21449
NSC-21449
SC-46794
alpha-Terpineol, 90%, technical grade
Caswell No. 823
DSSTox_RID_78167
DSSTox_RID_79596
MFCD00001557
MFCD00166983
1-p-Menthen-8-ol
AI3-00275
alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol
KB-223071
LS-148797
NSC-403665
ST24039469
ST50824481
TR-030336
AKOS015840815
EPA Pesticide Chemical Code 067005
J-500272
Menth-1-en-8-ol
W-100076
BRN 1906604
FEMA No. 3045
FT-0622202
FT-0698995
98-55-5
I14-51686
d-1-p-Menthen-8-ol
p-Menth-1-en-8-ol
Tox21_112118
Tox21_200112
Tox21_302298
(+)-.alpha.-Terpineol
CAS-98-55-5
1-Methyl-4-isopropyl-1-cyclohexene-8-ol
2438-12-2
3-Cyclohexene-1-methanol,.alpha.4-trimethyl-
8000-41-7
8031-32-1
MCULE-9798755896
NCGC00164431-01
NCGC00248528-01
NCGC00255464-01
NCGC00257666-01
1-Methyl-4-isopropyl-1-cyclohexen-8-ol
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
EINECS 202-680-6
EINECS 219-448-5
EINECS 232-268-1
p-Menth- 1-en-8-ol
11103-96-1
22347-88-2
37195-01-0
CAS-8000-41-7
SR-01000944873
2-(4-Methyl-3-cyclohexenyl)-2-propanol
2-(4-methylcyclohex-3-enyl)propan-2-ol
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-
MolPort-002-042-108
(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol
SR-01000944873-1
68540-43-2 (hydrochloride salt)
(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol
3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-
2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, (R)-
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, (S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1R)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt (1:1), (1S)-
IUPAC name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(CC1)C(C)(C)O
InchiInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
FormulaC10H18O
PubChem ID17100
Molweight154.253
LogP2.17
Atoms29
Bonds29
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols terpenes

mVOC Specific Details

Volatilization
The Henry's Law constant for alpha-terpineol is reported as 2.23X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that alpha-terpineol 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 20 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 150 days(SRC). alpha-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0423 mm Hg at 24 deg C(3).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J, Perdue, EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Solubility
1:8 OR MORE IN 50% ALCOHOL; SOL 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. 522
Literature: #Very soluble in benzene, acetone
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-468
Literature: #Very soluble in alcohol, ether
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 4151
Literature: #In water, 7100 mg/L at 25 deg C
Literature: Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-terpineol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 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
0.0423 mm Hg at 24 deg CLi J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiPiptoporus BetulinusnaGC/MSNo
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiGanoderma LucidumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a


(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

Compound Details

Synonymous names
OPFTUNCRGUEPRZ-QLFBSQMISA-N
AC1OCFDE
beta-Elemen
BETA-ELEMENE
Levo-beta-elemene
2QG8CX6LXD
UNII-2QG8CX6LXD
8064AH
SDP-111
CHEMBL448502
C17094
CHEBI:62855
ZINC14096289
E- .beta.-Elemene
2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane
(-)-beta-Elemene
Epitope ID:153551
AKOS028108977
(-)-beta-Elemene, analytical standard
515-13-9
beta-Elemene, (-)-
33880-83-0
20296-36-0
11033-44-6
154028-29-2
1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane
(1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane
(1S,2S,4R)-(-)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane
Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-
(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
(1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane
(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-
IUPAC name(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SMILESCC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
InchiInChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
FormulaC15H24
PubChem ID6918391
Molweight204.357
LogP4.74
Atoms39
Bonds39
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiTrichoderma AtrovirideCrutcher et al., 2013
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
FungiLaccaria Bicolor S238NnanaDitengou et al., 2015
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
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
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiPenicillium Decumbensnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al., 2012
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
FungiAspergillus UstusPolizzi et al., 2012
FungiPericonia BritannicaPolizzi et al., 2012
FungiPenicillium Roqueforti (IBT 16404)n/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen, 2003
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)DSMZWeikl et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
FungiLaccaria Bicolor S238Nmodified Pachlewski mediumcapillary gas chromatography, GC/MSYes
FungiPiptoporus BetulinusnaGC/MSNo
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
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiPenicillium Decumbensmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
BacteriaStreptomyces Citreusn/an/a
FungiAspergillus Ustusmalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiPericonia Britannicamalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiPenicillium Roqueforti (IBT 16404) wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibres
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)malt extract agarSBSE-GC-MSno


2-methyl-5-propan-2-ylcyclohexa-1,3-diene

Mass-Spectra

Compound Details

Synonymous names
Isopropylmethylcyclohexane, tetradehydro derivative
PHELLANDRENE
Menthadiene
alpha-Fellandrene
PHELLANDRENE,ALPHA
alpha Phellandrene
alpha-Phellandren
OGLDWXZKYODSOB-UHFFFAOYSA-N
ALPHA-PHELLANDRENE
MENTHANE TETRADEHYDRO DERIVATIVE
Menthane, tetradehydro derivative
a-phellandrene
1-phellandrene
Dihydro-p-cymene
.alpha.-Phellandrene
AC1L1OT7
alpha-Phellandrene (natural)
.alpha.-Fellandrene
AC1Q29WV
Phellandrene, alpha-
5731AF
NSC1842
CTK3J3667
M0051
ACMC-209t0j
HSDB 1130
DTXSID4047593
CHEMBL3188459
LS-3023
NSC-1842
OR038356
OR213985
OR260482
CHEBI:50035
ANW-41873
AN-24525
DSSTox_GSID_47593
(-)-??-Phellandrene
p-Mentha-1,5-diene
MFCD00040419
C-54386
DSSTox_RID_82440
DSSTox_CID_27593
TR-030690
RTR-030690
DB-070271
AKOS015913085
FT-0607984
FEMA No. 2856
BRN 1280394
99-83-2
5-Isopropyl-2-methyl-1,3-cyclohexadiene
1-Methyl-4-isopropyl-1,5-cyclohexadiene
I14-46722
2-Methyl-5-isopropyl-1,3-cyclohexadien
1-Isopropyl-4-methyl-2,4-cyclohexadiene
2-Methyl-5-isopropyl-1,3-cyclohexadiene
alpha-Phellandrene, natural, >=85%, FG
5-isopropyl-2-methylcyclohexa-1,3-diene
4-Isopropyl-1-methyl-1,5-cyclohexadiene
Tox21_302550
(+)-.alpha.-phellandrene
CAS-99-83-2
5-isopropyl-2-methyl-cyclohexa-1,3-diene
NCGC00256667-01
1330-17-2
1329-99-3
4221-98-1
EINECS 252-034-2
EINECS 215-532-0
EINECS 202-792-5
13811-01-3
25377-78-0
2-methyl-5-propan-2-ylcyclohexa-1,3-diene
(-)-p-Mentha-1,5-diene
2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
(-)-5-Isopropyl-2-methyl-1,3-cyclohexadiene
Cyclohexane, 1-methyl-4-(1-methylethyl)-, tetradehydro deriv.
2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene
3-05-00-00342 (Beilstein Handbook Reference)
1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-
(-)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene
1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)-
1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
IUPAC name2-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC1=CCC(C=C1)C(C)C
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
FormulaC10H16
PubChem ID7460
Molweight136.238
LogP3.21
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiFusarium Culmorum PVnasandy dune soil, NetherlandsSchmidt et al., 2016
FungiPaecilomyces Variotiicompost Fischer et al. 2046
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTuber Magnatumn/aItalian geographical areas (Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiFusarium Culmorum PVwater agar supplied with artificial root exudatesGC/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
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1660SPME / GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


1-methyl-4-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names
p-Isopropylmethylbenzene
p-Methylisopropylbenzene
4-Methylisopropylbenzene
Paracymene
Paramethyl-isopropyl-benzene
Camphogen
Dolcymene
HFPZCAJZSCWRBC-UHFFFAOYSA-N
p-Isopropyltoluene
Paracymol
CYMENE
P- Isopropylmethylbenzene
4-Isopropyltoluene
4-Isopropyltoluene|
Cymol
p-Methylcumene
PARACYMENE PF
4-Isopropylbenzyl radical
4-Isopropyltoluol
4-methyl isopropylbenzene
MML
p-Isopropyltoluene, analytical standard
para cymene
Para-cymene
AC1L1OTG
AC1MR1RS
p-Cimene
P-CYMENE
p-Cymol
4-iso-Propyltoluene
p-methyl cumene
p-methyl-Cumene
4-Cymene
4-methyl isopropyl benzene
2-p-Tolylpropane
4-Cymol
p-Cymene, analytical standard
1-Isopropyl-4-methylbenzene
1-Methyl-4-isopropylbenzene
4-Isopropyl-1-methylbenzene
4-Methyl-1-isopropylbenzene
KSC555A9F
ACMC-209sea
NSC4162
1G1C8T1N7Q
CTK4F5092
HMDB05805
S0664
1-isopropyl-4-methyl-Benzene
1-Methyl-4-isopropyl benzene
CHEMBL442915
Cymene, p-
UNII-830CI19HHD component HFPZCAJZSCWRBC-UHFFFAOYSA-N
Benzene,methyl(1-methylethyl)-
bmse000503
C06575
Cumene, p-methyl-
HSDB 5128
UNII-1G1C8T1N7Q
ZINC968246
AK105981
BT000135
DTXSID3026645
LS-2649
NSC 4162
NSC-4162
OR034341
OR109743
OR240709
SBB060399
ZB015527
4-methyl-1-(methylethyl)benzene
CHEBI:28768
DSSTox_CID_6645
Methyl-4-(1-methylethyl)benzene
p-Cymene, 99%
AJ-24581
AN-24528
ANW-41072
CJ-04640
DSSTox_GSID_26645
DSSTox_RID_78172
MFCD00008893
ZINC00968246
AI3-02272
KB-192943
p-Cymene, certified reference material, TraceCERT(R)
ST51046586
TR-030492
1-methyl-4-propan-2-ylbenzene
AKOS000121521
benzene, 1-methyl-4-methylethyl-
W-100013
Benzene, 1-isopropyl-4-methyl-
FEMA No. 2356
FT-0689324
1-(1-methylethyl)-4-methylbenzene
1-Methyl-4-(1-methylethyl)benzene
99-87-6
I14-20073
LMPR0102090014
p-Cymene, >=97%, FG
Tox21_201932
Tox21_300338
F8889-6466
p-Mentha-1,3,5-triene
CAS-99-87-6
1-Methyl-4-(1-methylethyl)-benzene
4939-75-7
BENZENE,1-ISOPROPYL,4-METHYL P-CYMENE
MCULE-1794861612
NCGC00247998-01
NCGC00247998-02
NCGC00254425-01
NCGC00259481-01
EINECS 202-796-7
WLN: 1Y1 & R D1
1-methyl-4-(propan-2-yl)benzene
25155-15-1
4-methyl-1-(propan-2-yl)benzene
Benzene, 1-methyl-4(1-methylethyl)-
Benzene,1-Methyl-4-(1-Methylethyl)-
MolPort-003-929-568
p-Cymene [UN2046] [Flammable liquid]
Benzene, 1-methyl-4-(1-methylethyl)-
ETHYL, 1-METHYL-1-(4-METHYLPHENYL)-
p-Cymene [UN2046] [Flammable liquid]
InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H
IUPAC name1-methyl-4-propan-2-ylbenzene
SMILESCC1=CC=C(C=C1)C(C)C
InchiInChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
FormulaC10H14
PubChem ID7463
Molweight134.222
LogP3.73
Atoms24
Bonds24
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids alkylbenzenes terpenes

mVOC Specific Details

Volatilization
The Henry's Law constant for p-cymene is estimated as 0.011 atm-cu m/mole(SRC), derived from its vapor pressure, 1.5 mm Hg(1), and water solubility, 23.4 mg/L(2). This Henry's Law constant indicates that p-cymene 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 3.5 hours if adsorption is neglected(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 4.6 days if adsorption is neglected(SRC). The volatilization half-life from a model pond is about 30 days if adsorption is considered(4). p-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). p-Cymene is expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1996) (2) Banerjee S et al; Environ Sci Technol 11: 1227-29 (1980) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of p-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that p-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 29, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.50 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1996)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiPenicillium Roqueforti (IBT 16404)n/aobtained fronm department of Biotechnology , Denmark Technical Universität at CopenhagenJelen, 2003
BacteriaPseudomonas Tolaasii NCPPB 2192nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB1nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB66nanaCantore et al., 2015
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTuber Magnatumn/aItalian geographical areas (Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiPenicillium Roqueforti (IBT 16404) wheat kernel mediumincubated at 20°C for 14 days, isolation by SPME with different fibres
BacteriaPseudomonas Tolaasii NCPPB 2192KBSPME-GC
BacteriaPseudomonas Tolaasii USB1KBSPME-GC
BacteriaPseudomonas Tolaasii USB66KBSPME-GC
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

Mass-Spectra

Compound Details

Synonymous names
ALPHA-CARYOPHYLLENE
Humulene
FAMPSKZZVDUYOS-HRGUGZIWSA-N
alpha-Humulene
alpha-Humalene
AC1NQYKM
alpha-Humulene, analytical standard
.alpha.-Caryophyllene
.alpha.-Humulene
6292AF
54W56MD2WD
CHEMBL251280
UNII-54W56MD2WD
CHEBI:5768
C09684
OR325391
OR031368
LS-58866
DTXSID30858793
ZINC30726967
3,7,10-Humulatriene
MFCD00042689
AKOS015965488
BRN 3240075
FT-0622161
LMPR0103110001
(1E,4E,8E)-alpha-humulene
6753-98-6
EINECS 229-816-7
65907-25-7
19132-75-3
alpha-Humulene, >=96.0% (GC)
2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene
2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene
trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene
4-05-00-01171 (Beilstein Handbook Reference)
(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
(1E,4E,8E)-humula-1(11),4,8-triene
2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (E,E,E)-
(1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-
Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-, (E,E,E)-
2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene-, (1E,4E,8E)-
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
IUPAC name(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
SMILESCC1=CCC(C=CCC(=CCC1)C)(C)C
InchiInChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
FormulaC15H24
PubChem ID5281520
Molweight204.357
LogP4.88
Atoms39
Bonds39
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes sesquiterpene

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiFusarium Oxysporum MSA 35the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocsMinerdi et al., 2009
FungiPhoma Sp.n/aStrobel et al., 2014
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
FungiFusarium Oxysporum MSA 35long-distance antagonistic actionMinerdi et al. 2009
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiFusarium Oxysporum MSA 35complete medium (CM)SPME/GC-MS
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
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
FungiFusarium Oxysporum MSA 35PDA/CMCAR/PDMS GCMSyes
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes


(4E,6E)-2,6-dimethylocta-2,4,6-triene

Mass-Spectra

Compound Details

Synonymous names
Neoalloocimene
Alloocimene
Allocymene
GQVMHMFBVWSSPF-SOYUKNQTSA-N
Alloocimene mixed isomers
trans,trans-Alloocimene
ALLO-OCIMENE
trans-allo-ocimene
AC1NSRS8
cis-Allo-ocimene
OCIMENE, ALLO
J9D0BS5BZN
ALLOCYMENE APPROX.80%
UNII-J9D0BS5BZN
Z-Neo-allo-ocimene
5730AF
6TF53L340E
4-trans-6-trans-alloocimene
OCIMENE, A110
BBL027750
CHEMBL2268552
LP084517
NSC406263
STL146333
DSSTox_CID_7288
UNII-6TF53L340E
ZINC1599076
CHEBI:90064
ACM3016191
LS-98066
DSSTox_GSID_27288
AN-20875
TL8004748
LMFA11000042
ZINC01599076
MFCD00009278
DSSTox_RID_78388
(4E,6E)-Allocimene
(4E,6E)-Alloocimene
BB_NC-1504
LS-169463
KB-166030
NSC 406263
NSC-406263
TR-022641
AI3-00737
W-109590
W-109849
AKOS005720971
FT-0610684
I14-48348
I14-51634
Tox21_202278
Tox21_303244
673-84-7
NCGC00259827-01
NCGC00257015-01
NCGC00249203-01
7216-56-0
3016-19-1
EINECS 221-153-1
EINECS 211-614-5
CAS-673-84-7
23487-64-1
17627-39-3
17627-38-2
2,6-Dimethyl-2,4E,6E-octatriene
2,6-Dimethyl-2,4,6-octatriene
2,6-Dimethylocta-2,4,6-triene
MolPort-002-507-459
2,4,6-Octatriene,2,6-dimethyl-
2,6-dimethyl-octa-2,4,6-triene
2,4,6-Octatriene, 2,6-dimethyl-
2,6-Octatriene, 2,6-dimethyl- (VAN8C
2,6-Dimethyl-octa-2,4,6-triene, trans
(2E)-3,7-Dimethyl-2,4,6-octatriene
(2Z)-3,7-Dimethyl-2,4,6-octatriene
(E,E)-2,6-Dimethylocta-2,4,6-triene
(E,E)-2,6-Dimethyl-2,4,6-octatriene
2,6-Dimethyl-2,4,6-octatriene, technical grade, 80%
(4E,6E)-2,6-dimethylocta-2,4,6-triene
(4E,6E)-2,6-Dimethyl-2,4,6-octatriene
2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-
2,4,6-Octatriene, 2,6-dimethyl- (VAN) (8CI)
2,4,6-Octatriene, 2,6-dimethyl-, (4E,6E)-
2,4,6-Octatriene, 2,6-dimethyl- (VAN) (8CI)(9CI)
IUPAC name(4E,6E)-2,6-dimethylocta-2,4,6-triene
SMILESCC=C(C)C=CC=C(C)C
InchiInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
FormulaC10H16
PubChem ID5368821
Molweight136.238
LogP3.42
Atoms26
Bonds25
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS


1-methyl-3-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names
m-Methylisopropylbenzene
meta-isopropyltoluene
3-Methylisopropylbenzene
XCYJPXQACVEIOS-UHFFFAOYSA-N
m-Isopropyltoluene
3-Isopropyltoluene
meta-cymene
beta-Cymene
M-CYMENE
m-Cymol
AC1L1VZZ
ACMC-1BMPS
m-Cymene, analytical standard
1-Isopropyl-3-methylbenzene
3-Methyl-1-isopropylbenzene
1-Methyl-3-isopropylbenzene
5135AE
.beta.-Cymene
ARONIS24108
C0798
CTK8B1847
NSC73975
1-Methyl-3-isopropyl benzene
UNII-830CI19HHD component XCYJPXQACVEIOS-UHFFFAOYSA-N
10ZH8R921S
HSDB 3428
SBB061535
OR009095
DTXSID2060206
OR111539
m-Cymene, 99%
UNII-10ZH8R921S
3-methyl-1-(methylethyl)benzene
Z-0808
ZINC1699438
FCH1115287
NSC 73975
NSC-73975
LS-30888
CJ-28584
CC-30175
ANW-31802
ZX-AS004458
ZINC01699438
C-34791
MFCD00008891
TR-018955
ST51047540
1-methyl-3-propan-2-ylbenzene
AKOS005110997
BRN 1851357
FT-0682671
I01-13192
1-Methyl-3-(1-methylethyl)benzene
535-77-3
1-methyl-3-(1-methylethyl) benzene
MCULE-5480201967
1-Methyl-3-(1-methylethyl)-benzene
EINECS 208-617-9
1-methyl-3-(propan-2-yl)benzene
MolPort-003-928-676
m-cymene [UN2046] [Flammable liquid]
Benzene, 1-methyl-3-(1-methylethyl)-
m-cymene [UN2046] [Flammable liquid]
4-05-00-01058 (Beilstein Handbook Reference)
IUPAC name1-methyl-3-propan-2-ylbenzene
SMILESCC1=CC(=CC=C1)C(C)C
InchiInChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
FormulaC10H14
PubChem ID10812
Molweight134.222
LogP3.73
Atoms24
Bonds24
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids alkylbenzenes benzenoides alkylbenzenoids

mVOC Specific Details

Boiling Point
DegreeReference
175 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 94th Edition. CRC Press LLC, Boca Raton: FL 2013-2014, p. 3-334
Volatilization
The Henry's Law constant for m-cymene is estimated as 7.15X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 1.72 mm Hg(1), and water solubility, 42.5 mg/L(2). This Henry's Law constant indicates that m-cymene 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 3.5 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 4.6 days(SRC). m-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of m-cymene from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989) (2) Lun R et al; J Chem Eng Data 42: 951-53 (1997) (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 m-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that m-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 6, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.72 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
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
BacteriaPseudomonas Brassicacearum USB2104reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo


1-methyl-4-propan-2-ylcyclohexa-1,3-diene

Mass-Spectra

Compound Details

Synonymous names
YHQGMYUVUMAZJR-UHFFFAOYSA-N
Terpilene
ALPHA-TERPINENE
alpha-Terpinen
alpha-Terpinene, analytical standard
AC1L1OTD
.alpha.-Terpinene
alpha - Terpinene
.alpha.-Terpinen
.alpha.-Terpine
M0317
alpha-Terpinene, 85%
ZINC967593
I24X278AP1
CCRIS 9058
C09898
LS-3104
DTXSID9041237
CHEMBL2251642
OR382959
OR382958
OR038359
UNII-I24X278AP1
CHEBI:10334
DSSTox_GSID_41237
BB0295842
AN-24527
SC-20197
1-Methyl-4-isopropylcyclohexadiene-1,3
DSSTox_RID_79657
MFCD00001534
p-Mentha-1,3-diene
DSSTox_CID_21237
AI3-26467
Ambap99-86-5
W-100014
Epitope ID:123897
AKOS015841730
FEMA No. 3558
FT-0622940
I14-51685
1-Isopropyl-4-methyl-1,3-cyclohexadiene
99-86-5
1-isopropyl-4-methylcyclohexa-1,3-diene
1-Methyl-4-isopropyl-1,3-cyclohexadiene
LMPR0102090026
Tox21_301126
CAS-99-86-5
alpha-Terpinene, >=89%, FCC, FG
NCGC00248299-01
NCGC00255025-01
1-isopropyl-4-methyl-cyclohexa-1,3-diene
EINECS 202-795-1
alpha-Terpinene, >=95.0% (GC)
1,3-Cyclohexadiene, 1-methyl-4-isopropyl-
MolPort-003-928-066
1-methyl-4-propan-2-ylcyclohexa-1,3-diene
1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene
1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-
InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H
IUPAC name1-methyl-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC1=CC=C(CC1)C(C)C
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
FormulaC10H16
PubChem ID7462
Molweight136.238
LogP3.16
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiPaecilomyces Variotiicompost Fischer et al. 2047
FungiPenicillium Clavigerumcompost Fischer et al. 2047
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiPenicillium PolonicumPolizzi et al., 2012
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
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
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSYes
FungiPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiPenicillium Polonicummalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiFusarium Culmorum PVpotato dextrose agarGC/MS-Q-TOFNo
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo


1,2,4-trimethylidenecyclohexane

Compound Details

Synonymous names
AMBNQWVPTPHADI-UHFFFAOYSA-N
1,2,4-trimethylidenecyclohexane
AC1LC767
1,2,4-Trimethylenecyclohexane
CTK5J2916
1,2,4-Trimethylenecyclohexane #
1,2,4-Tris(methylene)cyclohexane
14296-81-2
Cyclohexane, 1,2,4-tris(methylene)-
IUPAC name1,2,4-trimethylidenecyclohexane
SMILESC=C1CCC(=C)C(=C)C1
InchiInChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h1-6H2
FormulaC9H12
PubChem ID570705
Molweight120.195
LogP2.49
Atoms21
Bonds21
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo


2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane

Mass-Spectra

Compound Details

Synonymous names
Eucalyptusoil
Cucalyptol
eucaliptol
Eucalyptol
Eucalyptole
Eukalyptol
Cajeputol
Cineolum
eucalytol
WEEGYLXZBRQIMU-UHFFFAOYSA-N
CINEOL
cineole
Eucapur
Soledum
Terpan
Zineol
Eucalyptol, analytical standard
EUCALYPTUS OIL
CNL
Zedoary oil
p-Cineole
AC1L1EEE
OILS EUCALYPTUS
Casella-med brand of cineole
Cineole (Eucalyptol)
Eucalyptol (natural)
Eucalyptol, Ph Helv
Eucalyptol (USAN)
Eucalyptol [USAN]
Eukalyptol [Czech]
GTPL2464
5750AF
Cineole (VAN)
Eucalyptol, 99%
NSC6171
SCHEMBL19622
SCHEMBL41020
CTK6B3326
Eucalyptol [USAN:USP]
HMDB04472
HMS501A15
HSDB 991
RV6J6604TK
1,8-Cineol
1,8-Cineole
BIDD:ER0481
CHEMBL485259
Cineole, European Pharmacopoeia (EP) Reference Standard
DB03852
Eucalyptol, certified reference material, TraceCERT(R)
Eucalyptol, United States Pharmacopeia (USP) Reference Standard
LS-128
1,8-Cineole, primary pharmaceutical reference standard
A19469
Acylated oxime isatin derivative, 19
bmse000523
C09844
CCRIS 3727
D04115
DSSTox_CID_616
HMS2271P04
SPECTRUM1500294
UNII-RV6J6604TK
ZINC967566
BT000181
CHEMBL1231862
CHEMBL1397305
DTXSID4020616
HE033340
HE083136
HE344413
NSC 6171
NSC-6171
NSC760388
p-Menthane,8-epoxy-
SBB057535
ST096004
CHEBI:27961
Eucalyptol, tested according to Ph.Eur.
NCI-C56575
1,8-Cineol;
1,8-Epoxy-p-menthane
1,8-Oxido-p-menthane
AC-20234
AN-23469
BSPBio_002405
CCG-36080
DSSTox_GSID_20616
FCH1679459
KB-51836
KBioGR_002194
SC-47256
SCHEMBL13554591
SCHEMBL17836873
DSSTox_RID_75692
MFCD00167977
NINDS_000333
SPBio_000261
Spectrum2_000221
Spectrum3_000683
Spectrum4_001747
Spectrum5_000704
ZINC00967566
AI3-00578
NSC-760388
ST50308096
TR-017465
1,8-cineol (eucalyptol)
AKOS015903223
AKOS016034339
DivK1c_000333
KBio1_000333
KBio3_001625
W-106080
FEMA No. 2465
FT-0607033
FT-0626369
IDI1_000333
MLS001050089
MLS001066338
SMR000471853
Ambap470-82-6
I14-18994
LMPR0102090019
Eucalyptol (cineole), pharmaceutical secondary standard; traceable to USP, PhEur
NCI60_005108
Tox21_111161
Tox21_202090
Tox21_302902
3B1-005465
470-82-6
p-Menthane, 1,8-epoxy-
8000-48-4
8024-52-0
8024-53-1
NCGC00091666-01
NCGC00091666-02
NCGC00091666-03
NCGC00091666-04
NCGC00091666-05
NCGC00095774-01
NCGC00178671-01
NCGC00256479-01
NCGC00259639-01
AB01563262_01
CAS-470-82-6
EINECS 207-431-5
10458-11-4
Eucalyptol, natural, >=99%, FCC, FG
Pharmakon1600-01500294
EC 207-431-5
SR-01000763816
Tox21_111161_1
855347-23-8
MolPort-003-929-343
MolPort-039-339-173
SR-01000763816-2
1,3-Trimethyl-2-oxabicyclo[2.2.2]octane
2-Oxa-1,3-trimethylbicyclo[2.2.2]octane
p-Menthane, 1,8-epoxy- (VAN)
2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-
WLN: T66 A B AOTJ B1 B1 F1
1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane
1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octan
1,3,3-trimethyl-2-oxabicyclo[2,2,2]octane
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane
2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
{1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane}
{2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane}
2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
{2-Oxabicyclo[2.2.2]octane,} 1,3,3-trimethyl-
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane (ACD/Name 4.0)
InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H
IUPAC name2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
SMILESCC1(C2CCC(O1)(CC2)C)C
InchiInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
FormulaC10H18O
PubChem ID2758
Molweight154.253
LogP2.35
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes ethers

mVOC Specific Details

Volatilization
The Henry's Law constant for 1,8-cineole is estimated as 1.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.90 mm Hg(1), and water solubility, 3.5X10+3 mg/L(2). This Henry's Law constant indicates that cineole 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 13 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 8 days(SRC). 1,8-Cineole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,8-cineole from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Riddick JA et al, eds; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. New York, NY: John Wiley and Sons, (1985) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 730 (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
The Koc of 1,8-cineole is estimated as 220(SRC), using a log Kow of 2.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,8-cineole is expected to have moderate mobility in soil. In soil infiltration studies using secondary effluent from Fort Polk, LA collected Nov 4-5 1980, 1,8-cineole, present at 0.091 ug/L, was not detected in column fluid effluents on the second inundation cycle(4).
Literature: (1) Griffin S et al; J Chromatogr 864: 221-28 (1999) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983)
Vapor Pressure
PressureReference
1.90 mm Hg at 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 307
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
Fungi Fistulina HepaticaWu et al. 2005
Fungi Fusarium FujikuroiBrock et al. 2011
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Fungi Gloeophyllum OdoratumKahlos et al. 1994
Fungi Hypoxylon AnthochroumShaw et al. 2015
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSYes
Fungi Fistulina Hepaticano
Fungi Fusarium Fujikuroino
FungiGanoderma LucidumnaGC/MSNo
Fungi Gloeophyllum Odoratumno
Fungi Hypoxylon Anthochroumno
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes


4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene

Mass-Spectra

Compound Details

Synonymous names
Origanene
KQAZVFVOEIRWHN-UHFFFAOYSA-N
ALPHA-THUJENE
alpha-Thuiene
alpha-Thujen
THUJONE,
AC1Q1OZM
AC1L2AUH
3-Thujene
.alpha.-Thujene
CTK1A6092
OR115868
OR115867
OR038352
CHEBI:50031
AN-20179
Thujene, .alpha.-
FT-0622205
(-)-3-Thujene
2867-05-2
5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene
5-isopropyl-2-methyl-bicyclo[3.1.0]hex-2-ene
5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene #
2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene
2-Methyl-5-(1-methylethyl)-bicyclo(3.1.0)hex-2-ene
2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene
2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-
IUPAC name4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene
SMILESCC1=CCC2(C1C2)C(C)C
InchiInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
FormulaC10H16
PubChem ID17868
Molweight136.238
LogP2.8
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiTricholoma CaligatumFranceBreheret et al. 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno


4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol

Mass-Spectra

Compound Details

Synonymous names
cis-Sabinenehydrate
cis-Sabinenhydrate
KXSDPILWMGFJMM-UHFFFAOYSA-N
Sabinene hydrate
AC1L1WZA
4-Thujanol
Sabinene hydrate, cis
cis-4-thujanol
cis-Thujane-4-ol
(Z)-Sabinene hydrate
SCHEMBL438844
OR040947
4-Thujanol (natural)
CHEBI:16377
KB-40497
DB-052630
FEMA No. 3239
546-79-2
cis-Sabinene hydrate (cis for IP vs Me)
Sabinene hydrate trans (trans for IP vs. OH)
trans-Sabinene hydrate (trans for IP vs. OH)
EINECS 208-911-7
5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol
2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
(1R,2S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol
Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-
Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-
5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol-, (1.alpha.,2.beta.,5.alpha.)-
(1.alpha.,2.beta.,5.alpha.)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-
IUPAC name4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
SMILESCC(C)C12CCC(C1C2)(C)O
InchiInChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3
FormulaC10H18O
PubChem ID62367
Molweight154.253
LogP1.89
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols terpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo


2-methyl-6-methylideneocta-1,7-diene

Mass-Spectra

Compound Details

Synonymous names
VYBREYKSZAROCT-UHFFFAOYSA-N
Alpha myrcene
alpha-Myrcene
AC1LAS4E
.alpha.-Myrcene
CTK0E5196
LP077077
DTXSID50333971
2-methyl-6-methylideneocta-1,7-diene
1686-30-2
2-Methyl-6-methylene-1,7-octadiene #
1,7-Octadiene, 2-methyl-6-methylene-
IUPAC name2-methyl-6-methylideneocta-1,7-diene
SMILESCC(=C)CCCC(=C)C=C
InchiInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5H,1-2,4,6-8H2,3H3
FormulaC10H16
PubChem ID519324
Molweight136.238
LogP3.6
Atoms26
Bonds25
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo


(3E)-3,7-dimethylocta-1,3,7-triene

Mass-Spectra

Compound Details

Synonymous names
XJPBRODHZKDRCB-CSKARUKUSA-N
alpha-Ocimene
trans-alpha-Ocimene
alpha-trans-Ocimene
cis-alpha-Ocimen
AC1NSZ8V
Ocimene trans-alpha-form
8DBO41SLJL
UNII-8DBO41SLJL
UNII-ESJ648Z6YA component XJPBRODHZKDRCB-CSKARUKUSA-N
(E)-alpha-ocimene
UNII-11LWZ8H108 component XJPBRODHZKDRCB-CSKARUKUSA-N
LP072998
ZINC2581958
AN-21435
Ocimene trans-alpha-form [MI]
alpha-Ocimene, (E)-
LMPR0102010023
alpha-Ocimene, (3E)-
502-99-8
3B1-005662
6874-10-8
6874-44-8
EINECS 207-957-5
3,7-Dimethylocta-1,3,7-triene
2,6-Dimethyl-1,5,7-octatriene
3,7-dimethyl-1,3E,7-octatriene
3,7-Dimethyl-1,3,7-octatriene #
3,7-Dimethylocta-1 ,3,7-triene
1,3,7-Octatriene, 3,7-dimethyl-
(3E)-3,7-dimethylocta-1,3,7-triene
1,3,7-Octatriene, 3,7-dimethyl-, (3E)-
IUPAC name(3E)-3,7-dimethylocta-1,3,7-triene
SMILESCC(=C)CCC=C(C)C=C
InchiInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
FormulaC10H16
PubChem ID5320249
Molweight136.238
LogP3.54
Atoms26
Bonds25
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo


(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

Mass-Spectra

Compound Details

Synonymous names
Caryophyllene
NPNUFJAVOOONJE-WDZFZDKYSA-N
Cis-caryophyllene
Caryophyllene mixed isomers
.gamma.-Caryophyllene
AC1NT18C
.beta.-cis-Caryophyllene
Cis-.beta.-caryophyllene
C15H24
T8347
NSC11906
OR050741
OR217295
STK017347
BBL001767
BB_NC-0654
MFCD00019271
LS-173033
AKOS005378035
87-44-5
33993-33-8
13877-93-5
882299-40-3
101365-34-8
MolPort-002-507-175
1357267-77-6
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undeca-4-ene
4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene
4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene #
(Z)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
(5Z)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-ene
Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-
(z)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene, AldrichCPR
Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)-
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-
IUPAC name(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
SMILESCC1=CCCC(=C)C2CC(C2CC1)(C)C
InchiInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-
FormulaC15H24
PubChem ID5322111
Molweight204.357
LogP4.52
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo


(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

Compound Details

Synonymous names
ADIDQIZBYUABQK-RWMBFGLXSA-N
Guajene
alpha-Guaiene
AC1NSW3L
.alpha.-Guaiene
C20161
OR050738
CHEBI:63443
ZINC70454368
3691-12-1
Guaia-1(5),11-diene
(1S,4S,7R)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene
(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-, [1S-(1.alpha.,4.alpha.,7.alpha.)]-
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,4.alpha.,7.alpha.)]-
IUPAC name(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
SMILESCC1CCC(CC2=C1CCC2C)C(=C)C
InchiInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1
FormulaC15H24
PubChem ID5317844
Molweight204.357
LogP4.46
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo