Results for:
Species: AMI 386

Methylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names
METHYLSULFANYLMETHANE
Methanethiomethane
Dimethylsulphide
Methylthiomethane
dimethylsulfane
Dimethylsulfid
dimethylsulfide
Methylsulphide
Methylthiomethyl radical
Thiobismethane
(Methylthiomethylidyne)radical
methylsulfide
Dimethyl monosulfide
Thiopropane
dimethyl sulphide
Dimethyl thioether
Methyl monosulfide
QMMFVYPAHWMCMS-UHFFFAOYSA-N
reduced dimethyl sulfoxide
dimethyl sulfide
Methyl sulphide
Methyl thioether
Thiobis-methane
(Methylsulfanyl)methane
Methyl sulfide
REDUCED-DMSO
(methylthio)methane
Dimethyl sulfide, analytical standard
Dimethyl sulfoxide(Reduced)
Sulfure de methyle
(Methylsulfanyl)methane #
2-Thiapropane
2-Thiopropane
AC1L1ANN
Exact-S
Thiobis(methane)
ACMC-1BBLH
C2H6S
Dimethylsulfid [Czech]
Nat. Dimethyl Sulfide
Dimethyl sulfide (natural)
Methane, thiobis-
QS3J7O7L3U
KSC377G0P
Sulfide, methyl-
6873AF
CHEMBL15580
Dimethyl sulfide, >=99%
UN1164
UNII-QS3J7O7L3U
CTK2H7307
Dimethyl sulfide, 98%
HMDB02303
HSDB 356
M0431
[SMe2]
RP18263
Sulfure de methyle [French]
C00580
LTBB002388
(CH3)2S
DTXSID9026398
LS-2960
methyl sulphide, dimethyl sulphide, exact-S, thiobismethane
OR000121
OR337379
STL481894
UN 1164
A838342
CHEBI:17437
AN-23841
ANW-36574
KB-76628
SC-26847
Dimethyl sulfide, >=99%, FCC
MFCD00008562
AI3-25274
RTR-024212
TR-024212
AKOS009031411
I09-0087
Q-100810
BRN 1696847
Dimethyl sulfide, anhydrous, >=99.0%
FEMA No. 2746
FT-0603084
Methane, 1,1'-thiobis-
75-18-3
Dimethyl sulfide, 99% 250ml
MCULE-4525381422
Dimethyl sulfide, redistilled, >=99%, FCC, FG
EINECS 200-846-2
31533-72-9
Dimethyl sulfide [UN1164] [Flammable liquid]
Dimethyl sulfide, >=95.0% (GC)
Dimethyl sulfide, natural, >=99%, FCC, FG
MolPort-003-928-951
Dimethyl sulfide [UN1164] [Flammable liquid]
13741-EP2269977A2
13741-EP2277865A1
13741-EP2280006A1
13741-EP2284171A1
13741-EP2287153A1
13741-EP2298767A1
13741-EP2305656A1
13741-EP2308851A1
13741-EP2308873A1
13741-EP2311820A1
13741-EP2314576A1
13741-EP2314587A1
13741-EP2316836A1
13838-EP2292595A1
13838-EP2295409A1
13838-EP2295426A1
13838-EP2295427A1
13838-EP2295437A1
13838-EP2298775A1
13838-EP2311820A1
13838-EP2316836A1
18767-EP2270003A1
18767-EP2272832A1
18767-EP2277848A1
18767-EP2292576A2
18767-EP2292597A1
18767-EP2301933A1
18767-EP2305672A1
18767-EP2308510A1
18767-EP2308838A1
18767-EP2308877A1
18767-EP2311827A1
18767-EP2314576A1
18767-EP2314587A1
47704-EP2280006A1
47704-EP2311811A1
80926-EP2295426A1
80926-EP2295427A1
80926-EP2305687A1
Dimethyl sulfide, puriss., >=99.0% (GC)
InChI=1/C2H6S/c1-3-2/h1-2H
4-01-00-01275 (Beilstein Handbook Reference)
Microorganism:

Yes

IUPAC namemethylsulfanylmethane
SMILESCSC
InchiInChI=1S/C2H6S/c1-3-2/h1-2H3
FormulaC2H6S
PubChem ID1068
Molweight62.13
LogP1.22
Atoms9
Bonds8
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for dimethyl sulfide has been measured as 1.61X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl sulfide is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3 days(SRC). Dimethyl sulfides's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dimethyl sulfide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 502 mm Hg(3).
Literature: (1) Gaffney, JS et al; Env Sci Tech 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Vol 4. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of dimethyl sulfide is estimated as 6.3(SRC), using a water solubility of 22,000 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyl sulfide is expected to have very high mobility in soil.
Literature: (1) Suzuki T; J Comp-Aided Molec Des 5: 149-66 (1991) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Oct 1, 2009. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Air-dried, unsterilized moist, and sterilized moist soils exposed to air initially containing 500 ppm dimethyl sulfide adsorbed an avg of 32, 308, and 10 ug dimethyl sulfide/g soil, respectively, in 15 days(1). Time required for complete sorption of dimethyl sulfide by moist soil from air initially containing 100 ppm dimethyl sulfide: soil 1 (Weller) - 1st exposure 150 min, 2nd exposure 100 min, 3rd exposure 95 min; soil 2 (Harps) - 1st exposure 45 min, 2nd exposure 24 min, 3rd exposure 19 min(1). These data suggest that moist soils have a greater tendency to adsorb dimethyl sulfide than dry soils, and that microbial activity in moist soils may be responsible for greater adsorption(1). When natural gas containing 0.5 pounds of dimethyl sulfide per million cubic feet of gas was passed through a bed of pulverized, dry, montmorillonite clay, dimethyl sulfide exhibited a fast breakthrough (2 hours) and a fast build-up rate in effluent gas (85% of influent concn 4 hours after breakthrough), suggesting that dimethyl sulfide does not adsorb to dry soils(2).
Literature: (1) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976) (2) Williams RP; Oper Sect Proc - Am Gas Assoc pp. T29-T37 (1976)
Vapor Pressure
PressureReference
502 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaAlcaligenes Faecalisn/aSchulz and Dickschat, 2007
BacteriaAlpha Proteobacteria Groupn/aSchulz and Dickschat, 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaDesulfovibrio Acrylicusn/aSchulz and Dickschat, 2007
BacteriaGamma Proteobacterian/aSchulz and Dickschat, 2007
BacteriaLactobacillus Sp.n/aSchulz and Dickschat, 2007
BacteriaLactococcus Sp.n/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaParasporobacterium Paucivoransn/aSchulz and Dickschat, 2007
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPseudomonas Aeruginosa PA01stimulates growth of Aspergillus fumigatusnaBriard et al., 2016
BacteriaPseudomonas Flureorescens SBW25Cheng et al. 2016
BacteriaPseudonocardia Thermophila DSM 43832nasoilWilkins, 1996
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaSerratia Sp. DM1the 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
Fungi Fusarium Sp.Brock et al. 2011
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Fungi Penicillium Sp.Larsen 1998
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
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
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
BacteriaMycobacterium Bovisn/aMCNerney et al., 2012
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
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
BacteriaClostridium Difficile R002nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R013nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R014/R020nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R026nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R027nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R076nanaKuppusami et al., 2015
BacteriaClostridium Difficile R087nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaEnterobacter AgglomeransRobacker and Lauzon 2002
BacteriaPseudomonas AeruginosaclinicPreti., 2009
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiTuber Aestivumn/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 Magnatumn/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
FungiTuber Mesentericumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaAlcaligenes Faecalisn/an/a
BacteriaAlpha Proteobacteria Groupn/an/a
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaClostridium Sp.n/an/a
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaDesulfovibrio Acrylicusn/an/a
BacteriaGamma Proteobacterian/an/a
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaParasporobacterium Paucivoransn/an/a
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaPseudomonas Flureorescens SBW25Kings B + rif,+kann; PDA GC-Q-TOF-MSno
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaSerratia Sp. DM1LB mediumSPME/GC-MS
Fungi Fusarium Sp.no
FungiPenicillium Commune PittMEAGC/MS
Fungi Penicillium Sp.no
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-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
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Uncinatumn/aSPME-GC-MS
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaClostridium Difficile R002brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R013brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R014/R020brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R026brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R027brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R076brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R087brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaEnterobacter Agglomeransno
BacteriaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiTuber Aestivumn/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)
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


Propan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Dimethylcarbinol
Germstaroriginal
isopropylalcohol
Isopropylalkohol
Recovered Isopropanol
Agropharma Isopropyl Alcohol
Alcool isopropilico
Alcool isopropylique
isopropanol
Isopropenol
Isopropyl Alcohol Antiseptic
Isopropyl Alcohol Antiseptic Germicide
Isopropyl Alcohol Swabsticks
Medichoice Alcohol Swabstick
Takineocol
Wintergreen Isopropyl Alcohol
Alcohol Swabstick
Alcohol Swabsticks Singles
Alcosolve
Alkolave
Aplicare Isopropyl Alcohol
Avantine
Divas Wintergreen
Germstar Original Unscented
Goodsense Alcohol
Hartosol
Incontrol Alcohol
iso-propylalcohol
Iso-propylalkohol
Isopropryl alcohol
isopropyl
Isopropyl alcohol
Isopropyl Alcohol Swabstick Sterile
Isopropyl Alcohol Towelette
Isopropyl-alcohol
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Medimaxx
Petrohol
Spectrar
Sterisol hand disinfectant
Acetone Alcohol Swabsticks Singles
acetone isopropyl alcohol
Alcohol Sterile
Alcojel
Alcolo
Antiseptic Swab
Avantin
Comfort
Freshnails The Undernail Sanitizer
Healthcare Plus
i-propylalcohol
i-Propylalkohol
Isohol
Isopropyl Alcohol With Wintergreen
Isopropyl Rubbing Alcohol
Isopropyl Rubbing Alcohol With Wintergreen
Lavaco
Lavacol
Lutosol
Medline Alcohol Swabstick Triples
Propol
Rubbing alcohol
Sterile Alcohol
Sunmark Isopropyl Rubbing Alcohol
Tinted Isopropyl Alcohol
Virahol
Walgreen Alcohol
2propanol
Alcohol Hand Sanitizer Problend
Alcool Isopropylique A Friction
Allure Isopropyl Rubbing Alcohol
Allure Isopropyl Rubbing Alcohol With Wintergreen
Curad Isopropyl Alcohol
Divas
Family Wellness Sterile Alcohol
Handy Solutions Rubbing Alcohol
iPrOH
Iris
Isopropanol ACS reagent
Isopropanol or isopropyl alcohol
Isopropyl Alcohol Sepp
Isopropyl Alcohol Surgical Scrub
Isopropyl Alcohol Swabs
Jianze Alcohol
Medichoice Antiseptic Isopropyl Alcohol Prep Pads
Paraid Alcohol
Procutane Gel
Publix Alcohol
Starcap Medical Private Limited
Wearable Dispenser Cartridge Scs
2-Hydroxypropane
Alcohol Hand Problend
Alcohol Pad
Alcohol Prep
Alcohol Rub
Alcohol Wipe
Arquad DMCB
Assured Alcohol Cleansing Pad
Cardinalhealth Alcohol Prep Pads Large
Cardinalhealth Alcohol Prep Pads Medium
Combi-schutz
Coralite Alcohol Pads
Easytouch Alcohol Prep Pads Nonsterile
Friction Rub
IOH
ISO-PROPANOL
Isopropyl Winter Green Rubbing Alcohol
Leader Isopropyl Alcohol Wipes
Lens Cleaner
Medpride With Wintergreen Oil
Seatex Hand Sanitizer
sec-Propanol
Shopko Alcohol Swabs
Touchland Refeel Kub Cartridge
1-Methylethanol
2-propylalcohol
Alcohol Cotton Ball
Alcohol Extra-thick
Alcohol Swab Sticks
Alko Isol
Amsure Alcohol Prep
Certus Alcohol Prep
Full Care Alcohol Swabsticks
Good Care Isopropyl Alcohol
Good Neighbor Pharmacy Alcohol Antiseptic Skin Cleanser
Good Neighbor Pharmacy Isopropyl Alcohol Wipes
i-Propanol
Iso-propyl alcohol
Isopropyl Alcohol
Isopropyl Alcohol Prep Swab
Isopropyl Rubbing Alcohol With Wintergreen Oil
Medline Alcohol Prep Medium
Mk Alcohol Swabstick Sterile
North Alcohol Wipe
Oido Sana
Rexall Alcohol Prep
Royal Alcohol Cleansing Pads
sec-Propyl alcohol
Touchland Kub2go Hand Sanitizer Strawberry
Western Family Alcohol Swabs
1-Methylethyl alcohol
AC1L1GOQ
AC1Q1QDY
Alcohol Prep Pads
Auro-dri
Bay Rum Constanza
Cal Stat
Caretouch Alcohol Prep Pad
Cvs Alcohol Prep
Dermorapid: Colourless and Coloured
Dupont Relyon Antiseptic Hand Wipes
Easytouch Alcohol Prep Pads Sterile
i-Propyl alcohol
Imsol A
Isopro First Aid
Isopropyl Alcohol Prep Pad
Isopropyl Alcohol Prep Pad Sterile
Isopropyl Alcohol Reagent Grade ACS
Isopropyl alcohol, rubbing
Mckesson Alcohol Prep Pad
Medpride Sterile Prep Pads
Pharmacist Choice Alcohol Prep Pad
Protector Alcohol Prep Pad
Smart Sense Isopropyl Alcohol Wipes
Sterile Alcohol Prep Pads
Swim-ear
Touchland Kub2go Hand Sanitizer Lavender
Touchland Kub2go Hand Sanitizer Neutral
Touchland Kub2go Hand Sanitizer Vanilla
2-Propanol
Acetone Alcohol Prep Pads Medium
Alcohol Prep Pad Medium
Alcohol Prep Pads Lightweight Non-sterile
Alcosolve 2
First Aid Only Isopropyl Alcohol
Green Guard Sterile Alcohol Pads
Hyvee Alcohol Prep Pads
i-PrOH
Iso-blu Alcohol
Isopropanol (Recovered)
Isopropanol 99%
Isopropyl Alcohol 50 Percent Wintergreen Readyincase
Isopropyl Alcohol 70 Percent Wintergreen Readyincase
Pharmacist Choice Alcohol Sterile Prep Pad
propan-2ol
propane-2ol
propanol-2
Sanitizer - Assainissant
Touchland Kub2go Hand Sanitizer Citrus
2-Propanol, Spectrophotometric Grade
Cal Stat Plus Antiseptic Handrub With Enhanced Emollients
CHEMBL582
Curad Alcohol Prep Pads Medium
Dukal Alcohol Prep Pad
Dukal Sterile Alcohol Prep Pad
Gauke Alcohol Prep Pad
Good Care Alcohol Pad
Isopropyl Alcohol 50 Percent Readyincase
Isopropyl Alcohol 70 Percent Readyincase
Isopropyl Alcohol 70 Percent Wintergreen
Isopropyl Alcohol 91 Percent Readyincase
ISOPROPYL ALCOHOL, ACS
Isopropyl Rubbing Alcohol Lil Drug Store Products
Jianze Alcohol Prep Pad Medium
Labsco Sterile Alcohol Prep Pad
Medi-first Sterile Alcohol Pads
Omnis Health Alcohol Prep Pads
Sure Comfort Alcohol Prep Pads
Touchland Kub2go Hand Sanitizer Mint
2-Propyl alcohol
50% Rubbing
70% Isopropyl Rubbing Alcohol
70% Rubbing
Alcool isopropilico [Italian]
Alcool isopropylique [French]
Curad Alcohol Sterile, Large
Curad Alcohol Sterile, Thick
Isopropyl Alcohol 99%
Isopropyl Alcohol C+
Isopropyl Rubbing Alcohol 50 Percent Wintergreen
Isopropyl Rubbing Alcohol 50%
Isopropyl Rubbing Alcohol 70 Percent Wintergreen
Isopropyl Rubbing Alcohol 70%
Isopropyl Rubbing Compound 70%
Jianze Alcohol Prep Pad Large
Moore Brand Alcohol Prep Pads
Rubbing Compound 70%
School Health Sterile Alcohol Prep Pad
2-Propanol, analytical standard
2-PROPANOL, ISOPROPANOL
91 Percent Isopropyl Alcohol
ACMC-1BI1R
Coghlans Survival In A Can
Full Care Alcohol Prep Pad
Hs-E3
IPS 1
iso-C3H7OH
Iso-propylalkohol [German]
Isopropyl Alcohol 50 Percent
Isopropyl Alcohol 70 Percent
Isopropyl Alcohol 91 Percent
Isopropyl alcohol, EuropePharmacopoeia (EP) Reference Standard
Isopropyl Rubbing Alcohol 50 Percent
Isopropyl Rubbing Alcohol 50% With Wintergreen
Isopropyl Rubbing Alcohol 70
Isopropyl Rubbing Alcohol 70 Percent
Isopropyl Rubbing Alcohol 70% With Wintergreen
Isopropyl Rubbing Alcohol 90
Isopropyl Rubbing Alcohol 91 Percent
Medi-first Plus Sterile Alcohol Pads
Medline Alcohol Prep Sterile, Large
Medline Alcohol Prep Sterile, Medium
Mk Alcohol Prep Pads Large
Mk Alcohol Prep Pads Medium
Rubbing Alcohol 70 Percent Isopropyl
Rubbing Alcohol 70%
Rubbing Alcohol 91 Percent Isopropyl
Touchland Kub2go Hand Sanitizer Aloe Vera
Up and Up Alcohol
2 -propanol
2- propanol
2-Propanol, anhydrous
Alcool Isopropylique A Friction Rouge 70%usp
Alpet E3 Hand Sanitizer Spray
Biopropyl Liq 70%
Caring Alcohol Non-sterile, Medium
Curad Alcohol Non-sterile, Medium
Cut Care Alcohol Prep Pad
Dignity Health Hand Sanitizer Cal Stat Plus Antiseptic Handrub With Enhanced Emollients
Global Easy Prep Alcohol Prep Pads
Humco Isopropyl Rubbing Alcohol 70%
Humco Isopropyl Rubbing Alcohol 70% Professional Pack
i-Propylalkohol [German]
Isopropyl alcohol (manufacture strong-acid process)
Isopropyl alcohol [USAN]
Isopropyl Alcohol 99% USP
Isopropyl Alcohol Liq 99%
KSC353M9P
Maxim 50% Isopropyl Rubbing Alcohol
Maxim 50% Isopropyl Rubbing Alcohol With Wintergreen
Maxim 70% Isopropyl Rubbing Alcohol
Maxim 70% Isopropyl Rubbing Alcohol With Wintergreen
Propan-2-ol
propane-2-ol
Rubbing Alcohol 50 Percent
Rubbing Alcohol 50 Percent With Wintergreen
Rubbing Alcohol 70 Percent
Rubbing Alcohol 70 Percent With Wintergreen
1-Hydroxy-1-methylethyl
Alcojel Gel 70%
Alpet E-3
Amg-50
Curad Alcohol Non-sterile, Large
Dop Isopropyl Rubbing Alcohol 70%
Ear Dry Drops Well At Walgreens
Isopropyl Alcohol - GMP
Isopropyl alcohol (manufacturing-strong acid process only)
Isopropyl alcohol (USP)
Isopropyl Rubbing Alcohol 50% With Wintergreen and Glycerin
Isopropyl Rubbing Alcohol Liq 70%
Medline Alcohol Prep Non-sterile, Medium
Preferred Plus Pharmacy 70% Isopropyl Alcohol Wipes
UN1219
2-Propanol, meets USP testing specifications
70% Isopropyl Alcohol Well At Walgreens
A 50% Isopropyl Rubbing Alcohol
BDBM36154
CTK2F3697
Curad Alcohol Non-sterile, Extra Thick
HMDB00863
HSDB 116
I0163
I0164
I0277
Isopro (TN)
Medline Alcohol Prep Non-sterile, Large
More Savings 50 Percent Isopropyl Rubbing Alcohol With Wintergreen
More Savings Rubbing Alcohol 50 Percent
Super Rub 70%
Viraguard! With Virahol (gel)
2-Propanol, ACS reagent
Alcohol Prep Pads - Sterile
DB02325
Freeman Packing Hand Sanitizer 004
Hibistat (Salt/Mix)
i-Propanol [German]
Medline Alcohol Prep Non-sterile, Extra Large
Medline Alcohol Prep Non-sterile, Thick/medium
RL04582
WLN: QY1&1
Zep Alpet E-3 Sanitizer
2-Propanol, HPLC Grade
Alcohol Prep Pad - Medium
C01845
CCRIS 2308
D00137
DSSTox_CID_762
I.V. Prep Antiseptic Wipe
Iso Blu 50 Percent
Isopropanol (JP17)
Isopropyl Rubbing Nf 70%v/v
LTBB002057
n-Propan-2-ol
Smart Sense 70% Isopropyl Rubbing Alcohol First Aid Antiseptic
Visco 1152
ZINC901159
2-Propanol, for HPLC
2-Propanol, GC Grade
Alcohol Prep Pad - Large
Carefine Alcohol Swabs 100 Ct
Carefine Alcohol Swabs 200 Ct
DTXSID7020762
Easy To Break-off Cleaning and Disinfecting Swabstick Dfb-I
Easy To Break-off Cleaning and Disinfecting Swabstick Ybc-I
Ecocare 350 Hand Sanitizer With Skin Conditioner
FEMA Number 2929
Isopropyl Rubbing Alcohol 70% V/v
LS-1565
NSC135801
OR034205
OR098238
OR111345
OR333756
OR336061
OR343005
Propane, 2-hydroxy-
UN 1219
2-Propanol, Ph Eur
2-Propanol, pharmaceutical secondary standard; traceable to USP
300128X
Alcohol Prep Pads - Non Sterile
Arc 42 Essential First Aid Items
CHEBI:17824
Gfa 42 Essential First Aid Items
Isopropanol, 99.5% anhydrous
PROPYL, 2-HYDROXY-
Run Kang Alcohol Pads - Medium
AN-41893
ANW-35384
DSSTox_GSID_20762
ND2M416302
Caswell No. 507
DSSTox_RID_75777
Isopropanol, 70% in H2O
MFCD00011674
ZINC00901159
AI3-01636
ISOPROPYL ALCOHOL, U.S.P.
NSC 135801
NSC-135801
RTR-022706
TR-022706
UNII-ND2M416302
2-Propanol, United States Pharmacopeia (USP) Reference Standard
AKOS000121012
Isopropyl alcohol, meets EP, BP, USP testing specifications
J-510285
2-Propanol, histological grade, 99%
BRN 0635639
FEMA No. 2929
N.A.S.99 Nail Antiseptic Spray
67-63-0
Alcohol Prep F400 70% Liq
I14-19476
Isopropyl alcohol, natural, >=98%, FG
2-Propanol, technical grade, 95%
Ethyl, 1-hydroxy-1-methyl-
Tox21_111039
Tox21_202475
2-Propanol, 99.5%
2-Propanol, LR, >=99%
CAS-67-63-0
ETHYL, 1-METHYL-1-OXY-
One Time Swab Sticks 70% F468
2-Propanol, >72% in a non hazardous diluent
2-Propanol, ACS spectrophotometric grade, >=99.5%
2-Propanol, Laboratory Reagent, >=99.5%
8013-70-5
MCULE-6646752234
NCGC00090917-01
NCGC00260024-01
2-Propanol, anhydrous, 99.5%
EINECS 200-661-7
2-Propanol, >=99.7%, suitable for absorption spectrum analysis
Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required)
140-EP2269975A2
140-EP2269977A2
140-EP2269989A1
140-EP2269993A1
140-EP2269994A1
140-EP2269997A2
140-EP2270000A1
140-EP2270003A1
140-EP2270008A1
140-EP2270009A1
140-EP2270011A1
140-EP2270012A1
140-EP2270013A1
140-EP2270014A1
140-EP2270113A1
140-EP2272516A2
140-EP2272517A1
140-EP2272537A2
140-EP2272813A2
140-EP2272826A1
140-EP2272827A1
140-EP2272830A1
140-EP2272832A1
140-EP2272837A1
140-EP2272839A1
140-EP2272840A1
140-EP2272841A1
140-EP2272849A1
140-EP2272935A1
140-EP2274983A1
140-EP2275398A1
140-EP2275401A1
140-EP2275404A1
140-EP2275410A1
140-EP2275415A2
140-EP2275419A2
140-EP2275423A1
140-EP2275424A1
140-EP2275425A1
140-EP2275427A1
140-EP2275469A1
140-EP2277507A1
140-EP2277848A1
140-EP2277865A1
140-EP2277866A1
140-EP2277867A2
140-EP2277868A1
140-EP2277869A1
140-EP2277870A1
140-EP2277875A2
140-EP2277876A1
140-EP2277877A1
140-EP2277878A1
140-EP2277881A1
140-EP2280003A2
140-EP2280005A1
140-EP2280006A1
140-EP2280007A1
140-EP2280014A2
140-EP2281559A1
140-EP2281817A1
140-EP2281818A1
140-EP2281821A1
140-EP2281824A1
140-EP2281899A2
140-EP2283811A1
140-EP2284158A1
140-EP2284165A1
140-EP2284166A1
140-EP2284167A2
140-EP2284168A2
140-EP2284169A1
140-EP2284170A1
140-EP2284174A1
140-EP2284178A2
140-EP2284179A2
140-EP2286795A1
140-EP2286811A1
140-EP2286812A1
140-EP2286915A2
140-EP2287152A2
140-EP2287153A1
140-EP2287154A1
140-EP2287155A1
140-EP2287158A1
140-EP2287161A1
140-EP2287162A1
140-EP2287165A2
140-EP2287166A2
140-EP2287167A1
140-EP2287168A2
140-EP2287940A1
140-EP2289509A2
140-EP2289868A1
140-EP2289879A1
140-EP2289881A1
140-EP2289884A1
140-EP2289885A1
140-EP2289890A1
140-EP2289892A1
140-EP2289897A1
140-EP2289965A1
140-EP2292222A1
140-EP2292233A2
140-EP2292234A1
140-EP2292593A2
140-EP2292597A1
140-EP2292609A1
140-EP2292612A2
140-EP2292613A1
140-EP2292614A1
140-EP2292617A1
140-EP2292620A2
140-EP2292621A1
140-EP2292622A1
140-EP2292625A1
140-EP2292628A2
140-EP2295055A2
140-EP2295401A2
140-EP2295402A2
140-EP2295406A1
140-EP2295411A1
140-EP2295415A1
140-EP2295417A1
140-EP2295422A2
140-EP2295423A1
140-EP2295424A1
140-EP2295426A1
140-EP2295427A1
140-EP2295429A1
140-EP2295432A1
140-EP2295435A1
140-EP2295436A1
140-EP2295437A1
140-EP2298305A1
140-EP2298313A1
140-EP2298729A1
140-EP2298732A1
140-EP2298735A1
140-EP2298742A1
140-EP2298746A1
140-EP2298747A1
140-EP2298749A1
140-EP2298752A1
140-EP2298755A1
140-EP2298760A1
140-EP2298761A1
140-EP2298763A1
140-EP2298767A1
140-EP2298768A1
140-EP2298769A1
140-EP2298770A1
140-EP2298773A1
140-EP2298775A1
140-EP2298776A1
140-EP2298778A1
140-EP2298828A1
140-EP2299785A1
140-EP2301627A1
140-EP2301912A2
140-EP2301913A1
140-EP2301914A1
140-EP2301916A2
140-EP2301925A1
140-EP2301931A1
140-EP2301934A1
140-EP2301940A1
140-EP2301983A1
140-EP2302003A1
140-EP2305033A1
140-EP2305625A1
140-EP2305629A1
140-EP2305633A1
140-EP2305641A1
140-EP2305643A1
140-EP2305647A1
140-EP2305649A1
140-EP2305651A1
140-EP2305658A1
140-EP2305660A1
140-EP2305662A1
140-EP2305663A1
140-EP2305666A1
140-EP2305668A1
140-EP2305670A1
140-EP2305671A1
140-EP2305679A1
140-EP2305681A1
140-EP2305682A1
140-EP2305683A1
140-EP2305684A1
140-EP2305687A1
140-EP2305688A1
140-EP2305695A2
140-EP2305696A2
140-EP2305697A2
140-EP2305698A2
140-EP2305825A1
140-EP2306788A1
140-EP2306789A1
140-EP2308471A1
140-EP2308492A1
140-EP2308562A2
140-EP2308812A2
140-EP2308828A2
140-EP2308839A1
140-EP2308849A1
140-EP2308850A1
140-EP2308851A1
140-EP2308854A1
140-EP2308855A1
140-EP2308857A1
140-EP2308867A2
140-EP2308869A1
140-EP2308870A2
140-EP2308873A1
140-EP2308877A1
140-EP2308878A2
140-EP2308879A1
140-EP2308926A1
140-EP2309564A1
140-EP2311453A1
140-EP2311464A1
140-EP2311494A1
140-EP2311796A1
140-EP2311797A1
140-EP2311798A1
140-EP2311799A1
140-EP2311801A1
140-EP2311802A1
140-EP2311803A1
140-EP2311806A2
140-EP2311808A1
140-EP2311811A1
140-EP2311812A1
140-EP2311813A1
140-EP2311814A1
140-EP2311815A1
140-EP2311820A1
140-EP2311821A1
140-EP2311823A1
140-EP2311824A1
140-EP2311825A1
140-EP2311829A1
140-EP2311830A1
140-EP2311831A1
140-EP2311832A1
140-EP2311833A1
140-EP2311838A1
140-EP2311839A1
140-EP2311842A2
140-EP2314558A1
140-EP2314576A1
140-EP2314577A1
140-EP2314578A1
140-EP2314585A1
140-EP2314587A1
140-EP2314589A1
140-EP2314591A1
140-EP2316837A1
140-EP2371808A1
140-EP2371814A1
140-EP2372017A1
140-EP2374454A1
140-EP2374790A1
140-EP2374791A1
140-EP2380874A2
141-EP2269977A2
141-EP2269989A1
141-EP2270007A1
141-EP2270017A1
141-EP2270113A1
141-EP2270114A1
141-EP2272537A2
141-EP2272848A1
141-EP2272849A1
141-EP2272935A1
141-EP2272972A1
141-EP2272973A1
141-EP2274983A1
141-EP2275409A1
141-EP2275411A2
141-EP2275469A1
141-EP2277565A2
141-EP2277566A2
141-EP2277567A1
141-EP2277568A2
141-EP2277569A2
141-EP2277570A2
141-EP2277866A1
141-EP2277867A2
141-EP2277872A1
141-EP2277879A1
141-EP2277945A1
141-EP2280003A2
141-EP2280010A2
141-EP2280014A2
141-EP2284159A1
141-EP2284160A1
141-EP2284165A1
141-EP2284167A2
141-EP2284168A2
141-EP2284169A1
141-EP2286811A1
141-EP2287152A2
141-EP2287161A1
141-EP2287162A1
141-EP2287165A2
141-EP2287166A2
141-EP2287168A2
141-EP2289877A1
141-EP2289890A1
141-EP2289892A1
141-EP2292227A2
141-EP2292280A1
141-EP2292590A2
141-EP2292601A1
141-EP2292602A1
141-EP2292603A1
141-EP2292606A1
141-EP2292612A2
141-EP2292618A1
141-EP2292619A1
141-EP2292620A2
141-EP2292622A1
141-EP2293650A1
141-EP2295402A2
141-EP2295409A1
141-EP2295415A1
141-EP2295417A1
141-EP2295421A1
141-EP2295430A2
141-EP2295431A2
141-EP2295437A1
141-EP2298734A2
141-EP2298735A1
141-EP2298737A1
141-EP2298739A1
141-EP2298740A1
141-EP2298741A1
141-EP2298747A1
141-EP2298750A1
141-EP2298758A1
141-EP2298759A1
141-EP2298767A1
141-EP2298768A1
141-EP2298770A1
141-EP2298771A2
141-EP2298774A1
141-EP2298775A1
141-EP2298778A1
141-EP2298828A1
141-EP2299509A1
141-EP2299510A1
141-EP2301534A1
141-EP2301920A1
141-EP2301921A1
141-EP2301926A1
141-EP2301929A1
141-EP2301935A1
141-EP2301936A1
141-EP2301941A1
141-EP2305219A1
141-EP2305243A1
141-EP2305644A1
141-EP2305649A1
141-EP2305652A2
141-EP2305664A1
141-EP2305667A2
141-EP2305668A1
141-EP2305670A1
141-EP2305672A1
141-EP2305674A1
141-EP2305680A2
141-EP2305682A1
141-EP2305683A1
141-EP2305684A1
141-EP2305769A2
141-EP2308562A2
141-EP2308812A2
141-EP2308843A1
141-EP2308857A1
141-EP2308858A1
141-EP2308861A1
141-EP2308867A2
141-EP2308870A2
141-EP2308872A1
141-EP2308873A1
141-EP2308875A1
141-EP2308879A1
141-EP2309584A1
141-EP2311451A1
141-EP2311815A1
141-EP2311816A1
141-EP2311817A1
141-EP2311824A1
141-EP2311826A2
141-EP2311831A1
141-EP2311837A1
141-EP2311839A1
141-EP2311840A1
141-EP2314558A1
141-EP2314587A1
141-EP2314589A1
141-EP2316450A1
141-EP2316470A2
141-EP2316828A1
141-EP2316829A1
141-EP2316831A1
141-EP2316834A1
141-EP2316835A1
141-EP2316836A1
141-EP2316837A1
141-EP2316905A1
141-EP2316906A2
141-EP2371810A1
141-EP2371812A1
141-EP2372017A1
141-EP2372804A1
141-EP2374454A1
141-EP2374526A1
141-EP2374783A1
141-EP2378585A1
Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]
SR-01000944474
2-Propanol, ACS reagent, >=99.5%
2-Propanol, AR, >=99.5%
2-Propanol, USP, 99.0%
Isopropyl alcohol, >=99.7%, FCC, FG
2-Propanol, 99.5%, HPLC grade
2-Propanol, for HPLC, >=99.8%
2-Propanol, JIS special grade, >=99.5%
5051-EP2269975A2
5051-EP2269977A2
5051-EP2269986A1
5051-EP2269997A2
5051-EP2269999A1
5051-EP2270008A1
5051-EP2270015A1
5051-EP2272817A1
5051-EP2272825A2
5051-EP2272829A2
5051-EP2272835A1
5051-EP2272844A1
5051-EP2274983A1
5051-EP2275403A1
5051-EP2275411A2
5051-EP2275413A1
5051-EP2275414A1
5051-EP2275415A2
5051-EP2275423A1
5051-EP2277858A1
5051-EP2277871A1
5051-EP2280001A1
5051-EP2281821A1
5051-EP2284148A1
5051-EP2284157A1
5051-EP2284167A2
5051-EP2284168A2
5051-EP2284169A1
5051-EP2286811A1
5051-EP2287153A1
5051-EP2287155A1
5051-EP2287156A1
5051-EP2287161A1
5051-EP2287162A1
5051-EP2289509A2
5051-EP2289510A1
5051-EP2289879A1
5051-EP2289890A1
5051-EP2289894A2
5051-EP2292589A1
5051-EP2292592A1
5051-EP2292607A2
5051-EP2292617A1
5051-EP2295401A2
5051-EP2295406A1
5051-EP2295409A1
5051-EP2295414A1
5051-EP2295423A1
5051-EP2295437A1
5051-EP2298735A1
5051-EP2298747A1
5051-EP2298753A1
5051-EP2298755A1
5051-EP2298761A1
5051-EP2298763A1
5051-EP2298768A1
5051-EP2298770A1
5051-EP2298772A1
5051-EP2298775A1
5051-EP2301544A1
5051-EP2301627A1
5051-EP2301911A1
5051-EP2301919A1
5051-EP2305254A1
5051-EP2305625A1
5051-EP2305642A2
5051-EP2305647A1
5051-EP2305655A2
5051-EP2305662A1
5051-EP2305667A2
5051-EP2305671A1
5051-EP2305672A1
5051-EP2305676A1
5051-EP2305682A1
5051-EP2305684A1
5051-EP2305687A1
5051-EP2305769A2
5051-EP2305808A1
5051-EP2308492A1
5051-EP2308838A1
5051-EP2308839A1
5051-EP2308857A1
5051-EP2308864A1
5051-EP2308866A1
5051-EP2308877A1
5051-EP2308879A1
5051-EP2311805A1
5051-EP2311807A1
5051-EP2311830A1
5051-EP2314581A1
5051-EP2314586A1
5051-EP2314591A1
5051-EP2316827A1
5051-EP2371805A1
5051-EP2371811A2
5051-EP2374783A1
5051-EP2377841A1
5051-EP2377848A1
5051-EP2380568A1
MolPort-000-871-957
2-Propanol, 99.9%, PRA grade
2-Propanol, for HPLC, 99.5%
2-Propanol, for HPLC, 99.9%
2-Propanol, for molecular biology, BioReagent, >=99.5%
2-Propanol, SAJ first grade, >=99.0%
11948-EP2270006A1
11948-EP2270011A1
11948-EP2272537A2
11948-EP2275423A1
11948-EP2277866A1
11948-EP2280014A2
11948-EP2281559A1
11948-EP2284148A1
11948-EP2284174A1
11948-EP2287168A2
11948-EP2289509A2
11948-EP2292590A2
11948-EP2292612A2
11948-EP2292622A1
11948-EP2292628A2
11948-EP2295401A2
11948-EP2295409A1
11948-EP2298729A1
11948-EP2298734A2
11948-EP2301534A1
11948-EP2301939A1
11948-EP2305250A1
11948-EP2305652A2
11948-EP2305663A1
11948-EP2305667A2
11948-EP2305682A1
11948-EP2305695A2
11948-EP2305696A2
11948-EP2305697A2
11948-EP2305698A2
11948-EP2308812A2
11948-EP2308873A1
11948-EP2308879A1
11948-EP2311451A1
11948-EP2311824A1
11948-EP2311831A1
11948-EP2316450A1
2-Propanol, UV HPLC gradient, 99.8%
32837-EP2284167A2
32837-EP2284168A2
32837-EP2295411A1
32837-EP2301933A1
32837-EP2308812A2
32837-EP2308855A1
32837-EP2311820A1
32837-EP2311827A1
32837-EP2311850A1
40330-EP2269977A2
40330-EP2269979A1
40330-EP2270003A1
40330-EP2289881A1
40330-EP2289886A1
40330-EP2292222A1
40330-EP2295402A2
40330-EP2295423A1
40330-EP2298761A1
40330-EP2301544A1
40330-EP2305682A1
40330-EP2305684A1
40330-EP2305687A1
40330-EP2308848A1
40330-EP2308867A2
40330-EP2308870A2
40330-EP2308879A1
40330-EP2311830A1
40330-EP2371805A1
40330-EP2380871A1
45166-EP2272813A2
45166-EP2272849A1
45166-EP2289509A2
45166-EP2289879A1
45166-EP2292593A2
45166-EP2292616A1
45166-EP2292619A1
45166-EP2292622A1
45166-EP2298773A1
45166-EP2305250A1
45166-EP2305659A1
45166-EP2311821A1
45166-EP2380873A1
45166-EP2380874A2
51765-EP2270114A1
51765-EP2277866A1
51765-EP2292628A2
51765-EP2308510A1
51765-EP2308867A2
51765-EP2308870A2
51765-EP2311824A1
97840-EP2269992A1
97840-EP2289885A1
97840-EP2289896A1
97840-EP2292608A1
97840-EP2298749A1
97840-EP2305685A1
97840-EP2305686A1
97840-EP2380874A2
Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]
Oi+/-u>>u (1/4)
Oi+/-u (1/4)
OU+/-u (1/4)
SR-01000944474-1
2-Propanol, electronic grade, 99.999% trace metals basis
2-Propanol, semiconductor grade PURANAL(TM) (Honeywell 17829)
2-Propanol, anhydrous, 99.5% 250ml
2-Propanol, semiconductor grade SLSI PURANAL(TM) (Honeywell 17030)
2-Propanol, semiconductor grade ULSI PURANAL(TM) (Honeywell 17022)
2-Propanol, semiconductor grade VLSI PURANAL(TM) (Honeywell 17604)
2-Propanol, semiconductor grade MOS PURANAL(TM) (Honeywell 17930)
2-Propanol, Vetec(TM) reagent grade, anhydrous, >=99.5%
2-+/-u (1/4)
2-Propanol, >10 - 50% in a non hazardous diluent
2-Propanol, >50 - 72% in a non hazardous diluent
2-Propanol, reag. ISO, UV HPLC spectroscopic, 99.7%
4-01-00-01461 (Beilstein Handbook Reference)
2-Propanol, BioUltra, for molecular biology, >=99.5% (GC)
2-Propanol, >=99.7%, for residue analysis, suitable for 1000 per JIS
2-Propanol, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%
InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H
2-Propanol, p.a., ACS reagent, reag. ISO, 99.8%
2-Propanol, puriss. p.a., ACS reagent, >=99.8% (GC)
2-Propanol, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%, poly coated bottles
2-Propanol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC)
2-Propanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8% (GC)
Microorganism:

Yes

IUPAC namepropan-2-ol
SMILESCC(C)O
InchiInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
FormulaC3H8O
PubChem ID3776
Molweight60.096
LogP0.25
Atoms12
Bonds11
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for isopropanol is 8.10X10-6 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that isopropanol 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 86 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 29 days(SRC). Isopropanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isopropanol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 45.2 mm Hg at 25 deg C(3). The volatilization of isopropanol from a runoff tank of an industrial wastewater treatment facility was measured; the volatilization rate of isopropanol ranged between 0.64-0.69 mg/sq m-min(4). The evaporation rate of a 1:1 isopropanol:water mixture from a shallow pool was 1.5 kg/sq-m per hour at a wind speed of 4.5 m/s and pool temperature of 20 deg C and an ambient air temperature of 22 deg C(5). Laboratory studies demonstrated that isopropanol will volatilize from water to air in the absence of wind(6).
Literature: (1) Taft RW et al; Nature 313: 384-6 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng New York, NY: Hemisphere Pub Corp 5 Vol (1989) (4) Gholson AR et al; Environ Sci Technol 25: 519-24 (1991) (5) WHO; Environmental Health Criteria 103, 2-Propanol. Geneva, Switzerland: WHO International Program on Chemical Safety. pp. 1-77 (1990) (6) Hedden T et al; Haz Waste Haz Mater 7: 223-37 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of isopropanol can be estimated to be 1.5(SRC). According to a classification scheme(2), this estimated Koc value suggests that isopropanol is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
45.4 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiPenicillium Palitans (commune) (IBT 15899)n/aobtained from buildings Wilkins et al., 2000
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 Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
FungiPaecilomyces Variotii BainMEAGC/MS
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiPenicillium Palitans (commune) (IBT 15899)medium with glutamin Cultures were grown at 21-23°C for 7 days,VOC-analyse by GC/MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS


2-methylbuta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names
Isopentadiene
isoterpene
Chlorinated natural rubber
beta-Methylbivinyl
isopreno
ISOPRENE
RRHGJUQNOFWUDK-UHFFFAOYSA-N
Isopren
Polyisoprene, chlorinated
2-Methylbutadiene
Isoprene, analytical standard
2-Methyldivinyl
Isoprene, inhibited
AC1L1MSM
ISOPRENE, REAG
AC1Q1J4I
AC1Q1J4J
.beta.-Methylbivinyl
ACMC-209slm
NSC9237
7380AF
UN1218
Isoprene, >=99%
HSDB 620
I0160
I0772
CTK2H7308
RL05044
CH2=C(CH3)CH=CH2
CCRIS 6253
C16521
bmse000844
DSSTox_CID_761
0A62964IBU
LTBB001094
LS-1754
DTXSID2020761
NSC 9237
NSC-9237
OR000132
OR098975
OR327531
OR341562
CHEMBL1566132
UNII-0A62964IBU
ZINC1699876
CHEBI:35194
ANW-41336
DSSTox_GSID_20761
AN-42118
WLN: 1UY1&1U1
KB-52802
TRA0042245
DSSTox_RID_75776
MFCD00008600
TR-037841
3-Methyl-1,3-butadiene
2-Methylbuta-1,3-diene
2-Methyl-1,3-butadiene
RTR-037841
J-509898
AKOS000119971
FT-0627457
I14-49147
I14-19787
78-79-5
Tox21_200067
2-methyl-buta-1,3-diene
3B1-007327
CAS-78-79-5
NCGC00257621-01
NCGC00091078-02
NCGC00091078-01
1,3-Butadiene, 2-methyl-
EINECS 201-143-3
Isoprene, 99%, stabilized 100ml
UN 1218 (Salt/Mix)
68441-58-7
78006-92-5
954-EP2301924A1
954-EP2272935A1
954-EP2272843A1
1,3-Butadiene, 2-methyl-, homopolymer
954-EP2374781A1
954-EP2374780A1
954-EP2305825A1
954-EP2305668A1
954-EP2277945A1
954-EP2298313A1
954-EP2275427A1
954-EP2281817A1
954-EP2270113A1
954-EP2270101A1
823271-95-0
Isoprene, inhibited [UN1218] [Flammable liquid]
1,3-Butadiene, 2-methyl-, homopolymer, chlorinated
3-BUTENYL, 2-METHYLENE-(8CI,9CI)
Isoprene, 99%, contains <1000 ppm p-tert-butylcatechol as inhibitor
Isoprene, inhibited [UN1218] [Flammable liquid]
InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H
Microorganism:

Yes

IUPAC name2-methylbuta-1,3-diene
SMILESCC(=C)C=C
InchiInChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
FormulaC5H8
PubChem ID6557
Molweight68.119
LogP1.88
Atoms13
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for isoprene is estimated as 0.077 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(1), and water solubility, 642 mg/L(2). This Henry's Law constant indicates that isoprene 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 2.4 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 3.3 days(SRC). Isoprene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isoprene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Formation of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971) (2) McAuliffe C; J Phys Chem 70: 1267-75 (1966) (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 isoprene is estimated as 61(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoprene is expected to have high mobility in soil.
Literature: (1) Chemicals Inspection and Testing Institute. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
550 mm Hg at 25 deg CZwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Vaporization of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
FungiTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaAMI 386protection against heat stress, stabilizes cell membranes in response to heat stressbreathing zone of a waste collection workerWilkins, 1996
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Spp.n/aSchulz and Dickschat, 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaEnterobacter Cloacae SM 639protection against heat stress, stabilizes cell membranes in response to heat stressubiquitary,intestinalSchoeller et al., 1997
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPseudomonas Aeruginosa ATCC 10145protection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, skin floraSchoeller et al., 1997
BacteriaPseudomonas Fluorescens R2Fprotection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, plantsSchoeller et al., 1997
BacteriaPseudomonas Putida KT 2442protection against heat stress, stabilizes cell membranes in response to heat stressnaSchoeller et al., 1997
BacteriaPseudonocardia Sp.n/aSchulz and Dickschat, 2007
BacteriaPseudonocardia Thermophila DSM 43832protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSaccharomonospora Rectivirgula DSM 43113protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSaccharomonospora Sp.n/aSchulz and Dickschat, 2007
BacteriaSaccharomonospora Viridis DSM 43017protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSerratia Liquefaciens SM 1302protection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, plants; digestive tracts of rodents, insects, fish, humansSchoeller et al., 1997
BacteriaStreptomyces Albidoflavus AMI 246n/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 Griseus Subsp. Griseus DSM 40236protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaThermoactinomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaThermoactinomyces Vulgaris DSM 43016protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaThermomonospora Sp.n/aSchulz and Dickschat, 2007
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPseudomonas Aeruginosa ATCC 10145AB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Fluorescens R2FAB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaPseudonocardia Sp.n/an/a
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Sp.n/an/a
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSerratia Liquefaciens SM 1302AB medium + 1% citrateGC-FID,GC/MS
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp. AMI 243Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaThermoactinomyces Spp.n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaThermomonospora Sp.n/an/a
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1640SPME / GC-MS


Butan-2-one

Mass-Spectra

Compound Details

Synonymous names
Aethylmethylketon
Ethylmethylcetone
Ethylmethylketon
ethylmethylketone
Methylethylketone
Metiletilchetone
Metyloetyloketon
Methylpropanone
Metiletilcetona
methylacetone
Butanone
ethyl methylketone
ethylmathyl ketone
ethylmethyl ketone
methyl ethylketone
methyl-ethylketone
Methylethyl ketone
methylethyl-ketone
Oxobutane
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
Butanon
Meetco
Methyl acetone
MEK
Ethyl methyl cetone
Ethyl methyl ketone
ethyl-methyl ketone
methyl ethyl cetone
METHYL ETHYL KETONE
methyl-ethyl ketone
methyl-ethyl-ketone
Metyl ethyl ketone
n-butanone
AC1L1MTM
Aethylmethylketon [German]
Ethylmethylcetone [French]
Metiletilcetona [Spanish]
Metiletilchetone [Italian]
Metyloetyloketon [Polish]
2-Butanone
2-Oxobutane
3-Butanone
Butanone 2
Ethylmethylketon [Dutch]
2-butanal
2-butanon
6PT9KLV9IO
C2H5COCH3
Ethyl- a -Chloropropionamide
ethyl(methyl) ketone
Ketone, ethyl methyl
Ketone, methyl ethyl
Methyl Ethyl Ketone Reagent Grade ACS
methyl(ethyl) ketone
2-Butanone, analytical standard
UNII-6PT9KLV9IO
2 -butanone
2- butanone
AC1Q2S03
AC1Q2S04
Acetone, methyl-
Butan-2-one
butane-2-one
Ethyl methyl ketone or methyl ethyl ketone
HSDB 99
KSC377S9D
CHEMBL15849
Methyl ethyl ketone, ACS reagent
UN1193
ASTM-D740
CTK2H7991
E0140
HMDB00474
Ethyl methyl cetone [French]
Methyl Ethyl Ketone, pharmaceutical secondary standard; traceable to USP
RP18311
2-Butanone, HPLC Grade
C02845
CCRIS 2051
RCRA waste number U159
ZINC901514
BBL011450
Butanone 2 [French]
DTXSID3021516
LS-1761
OR034250
OR129517
OR129518
OR192028
OR225680
OR280101
STL146562
UN 1193
ZB015288
A839534
CHEBI:28398
DSSTox_CID_1516
Methyl Ethyl Ketone - Mil Spec
AN-42129
BP-30009
CJ-04546
DSSTox_GSID_21516
BB_SC-6989
BUTYL, 3-OXO-
Caswell No. 569
DSSTox_RID_76193
LMFA12000043
Methyl ethyl ketone, United States Pharmacopeia (USP) Reference Standard
MFCD00011648
ZINC00901514
AI3-07540
KB-169162
RTR-025185
TR-025185
AKOS000118991
EPA Pesticide Chemical Code 044103
ghl.PD_Mitscher_leg0.417
I14-4164
RCRA waste no. U159
FEMA No. 2170
FT-0628728
FT-0634386
78-93-3
2-Butanone, technical grade, 99%
Tox21_200041
2-Butanone, LR, >=99%
CAS-78-93-3
PROPYL, 1-METHYL-2-OXO-
MCULE-8276670748
NCGC00090973-01
NCGC00090973-02
NCGC00257595-01
2-Butanone, 97% 1L
2-Butanone, ReagentPlus(R), >=99%
EINECS 201-159-0
2-Butanone, natural, >=99%, FG
AI3-07540 (USDA)
135311-02-3
2-Butanone, ACS reagent, >=99.0%
2-Butanone, AR, >=99.5%
2-Butanone, for HPLC, >=99.7%
2-Butanone, JIS special grade, >=99.0%
5793-EP2270114A1
5793-EP2280005A1
5793-EP2281817A1
5793-EP2289879A1
5793-EP2289884A1
5793-EP2289897A1
5793-EP2292601A1
5793-EP2292602A1
5793-EP2293650A1
5793-EP2298739A1
5793-EP2298746A1
5793-EP2298771A2
5793-EP2298772A1
5793-EP2301922A1
5793-EP2305658A1
5793-EP2305667A2
5793-EP2308839A1
5793-EP2371805A1
MolPort-001-783-785
2-Butanone, SAJ first grade, >=99.0%
15136-EP2270004A1
15136-EP2270114A1
15136-EP2272813A2
15136-EP2272817A1
15136-EP2272832A1
15136-EP2272841A1
15136-EP2275395A2
15136-EP2275401A1
15136-EP2277874A1
15136-EP2289879A1
15136-EP2289893A1
15136-EP2295407A1
15136-EP2295425A1
15136-EP2295426A1
15136-EP2295427A1
15136-EP2298735A1
15136-EP2298736A1
15136-EP2298761A1
15136-EP2305642A2
15136-EP2305652A2
15136-EP2305687A1
15136-EP2308864A1
15136-EP2308877A1
15136-EP2311830A1
15136-EP2314590A1
15136-EP2316832A1
15136-EP2316833A1
15136-EP2371808A1
15136-EP2371831A1
15136-EP2374454A1
15136-EP2377842A1
15249-EP2270000A1
15249-EP2281810A1
15249-EP2286811A1
15249-EP2289897A1
15249-EP2298735A1
15249-EP2305647A1
15249-EP2305688A1
15249-EP2311830A1
15249-EP2316832A1
15249-EP2316833A1
18726-EP2289879A1
18726-EP2314576A1
23079-EP2275424A1
23079-EP2311832A1
23079-EP2311833A1
23079-EP2314591A1
26070-EP2269986A1
26070-EP2269995A1
26070-EP2270000A1
26070-EP2270009A1
26070-EP2270113A1
26070-EP2272822A1
26070-EP2272827A1
26070-EP2272832A1
26070-EP2272849A1
26070-EP2272935A1
26070-EP2274983A1
26070-EP2275407A1
26070-EP2275411A2
26070-EP2275423A1
26070-EP2275469A1
26070-EP2277866A1
26070-EP2277878A1
26070-EP2281812A1
26070-EP2281821A1
26070-EP2284146A2
26070-EP2284147A2
26070-EP2284149A1
26070-EP2284165A1
26070-EP2284174A1
26070-EP2286811A1
26070-EP2287154A1
26070-EP2287940A1
26070-EP2289868A1
26070-EP2289879A1
26070-EP2289885A1
26070-EP2289965A1
26070-EP2292592A1
26070-EP2292593A2
26070-EP2292597A1
26070-EP2292609A1
26070-EP2295423A1
26070-EP2295430A2
26070-EP2295431A2
26070-EP2295438A1
26070-EP2298729A1
26070-EP2298753A1
26070-EP2298763A1
26070-EP2298767A1
26070-EP2298828A1
26070-EP2299326A1
26070-EP2301918A1
26070-EP2301920A1
26070-EP2301924A1
26070-EP2301983A1
26070-EP2302003A1
26070-EP2305636A1
26070-EP2305642A2
26070-EP2305649A1
26070-EP2305650A1
26070-EP2305667A2
26070-EP2305676A1
26070-EP2305685A1
26070-EP2305686A1
26070-EP2308510A1
26070-EP2308562A2
26070-EP2308828A2
26070-EP2308838A1
26070-EP2308857A1
26070-EP2308858A1
26070-EP2308865A1
26070-EP2308926A1
26070-EP2309564A1
26070-EP2309584A1
26070-EP2311801A1
26070-EP2311802A1
26070-EP2311803A1
26070-EP2311815A1
26070-EP2311816A1
26070-EP2311817A1
26070-EP2314558A1
26070-EP2314577A1
26070-EP2314587A1
26070-EP2371797A1
26070-EP2371798A1
26070-EP2371800A1
26070-EP2371804A1
26070-EP2371808A1
26070-EP2371811A2
26070-EP2371814A1
26070-EP2374533A1
26070-EP2374538A1
26070-EP2374895A1
26070-EP2377845A1
26070-EP2380568A1
26070-EP2380873A1
28325-EP2270000A1
28325-EP2270008A1
28325-EP2275102A1
28325-EP2275423A1
28325-EP2277877A1
28325-EP2289879A1
28325-EP2289885A1
28325-EP2289897A1
28325-EP2292593A2
28325-EP2292617A1
28325-EP2298768A1
28325-EP2307364A1
28325-EP2308861A1
28325-EP2308865A1
28325-EP2310373A1
28325-EP2311808A1
28325-EP2311829A1
28325-EP2311840A1
28325-EP2314577A1
28325-EP2371797A1
28325-EP2371798A1
28325-EP2371800A1
28325-EP2371804A1
28325-EP2371808A1
89669-EP2277868A1
89669-EP2277869A1
89669-EP2277870A1
89669-EP2281861A2
89669-EP2292608A1
89669-EP2305033A1
113739-EP2270000A1
113739-EP2272843A1
113739-EP2272849A1
113739-EP2281817A1
113739-EP2284169A1
113739-EP2287161A1
113739-EP2287162A1
113739-EP2289877A1
113739-EP2292618A1
113739-EP2295406A1
113739-EP2298772A1
138199-EP2292592A1
138199-EP2292595A1
2-Butanone, >=99.5%, FCC, FG
2-Butanone, puriss., >=99% (GC)
Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]
2-Butanone, HPLC grade, for HPLC, >=99.5%
Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]
InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H
2-Butanone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)
2-Butanone, 5000 mug/mL in methanol: water (9:1), analytical standard
2-Butanone, puriss., ACS reagent, reag. Ph. Eur., 99.5%
2-Butanone, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)
Microorganism:

Yes

IUPAC namebutan-2-one
SMILESCCC(=O)C
InchiInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
FormulaCH3COCH2CH3
PubChem ID6569
Molweight72.107
LogP0.81
Atoms13
Bonds12
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl ethyl ketone is 4.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that methyl ethyl ketone 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 18 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 8.2 days(SRC). Methyl ethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl ethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 90.6 mm Hg(3). The volatilization half-life of methyl ethyl ketone from silt and sandy loams was measured as 4.9 days(4).
Literature: (1) Ji C, Evans EM; Environ Toxicol Chem 26(2): 231-236 (2007) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995) (4) Anderson TA et al; J Environ Qual 20: 420-24 (1991)
Soil Adsorption
Measured Koc values of 29 and 34 were obtained for methyl ethyl ketone in a silt loam and sandy loam soil respectively(1). A measured Koc value of 3.55 has also been reported(2). According to a classification scheme(3), these Koc values suggest that methyl ethyl ketone is expected to have very high mobility in soil(SRC).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-58 (1992) (2) ATSDR; Toxicological Profile for 2-Butanone. Atlanta, GA: Agency for Toxic Substances and Disease Registry, US Public Health Service (1992). Available from, as of Dec 8, 2014: http://www.atsdr.cdc.gov/toxprofiles/index.asp (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
90.6 mm Hg at 25 deg CAlarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBrevibacterium Epidermidis YMF3·00155nanaSu et al., 2016
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCoagulase Negative Staphylococcimilk of cowsHettinga et al 2010
BacteriaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaLactobacillus Caseifermented milkGallegos et al. 2017
BacteriaLactobacillus Lactis Subsp. CremorisSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Lactis Subsp. LactisSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Paracasei Subsp ParacaseiSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Sakei CIRM467TnaSake starterPogačić et al., 2016
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Aureusmilk of cowsHettinga et al 2010
BacteriaStreptococcus Dysgalactiaemilk of cowsHettinga et al 2010
BacteriaStreptococcus Uberismilk of cowsHettinga et al 2010
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiCandida Tropicalisn/aBunge et al., 2008
FungiMuscodor Crispansn/aMitchell et al., 2010
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiPhoma Sp.n/aStrobel et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTuber SimoneaNoneNone March et al., 2006
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
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaMycobacterium Bovisn/aMCNerney et al., 2017
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
BacteriaCyanobacteriaAs part of a multicomponent odour it is also an attractant for the freshwater nematode Bursilla monhystera.Schulz and Dickschat, 2007
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
FungiTuber Aestivumn/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 Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Mesentericumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBrevibacterium Epidermidis YMF3·00155LB mediumSPME-GC/MSNo
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCoagulase Negative StaphylococciGCMS DSQno
BacteriaEscherichia Colimilk samplesGC-MS(BPX-5)no
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaLactobacillus CaseiMRS agarGC-IMSyes
BacteriaLactobacillus Lactis Subsp. CremorisMRS agarGC-IMSyes
BacteriaLactobacillus Lactis Subsp. LactisMRS agarGC-IMSyes
BacteriaLactobacillus Paracasei Subsp ParacaseiMRS agarGC-IMSyes
BacteriaLactobacillus Sakei CIRM467Tcurd-based broth mediumGC/MSYes
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSalmonella Enterican/an/a
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus AureusGCMS DSQno
BacteriaStreptococcus DysgalactiaeGCMS DSQno
BacteriaStreptococcus UberisGCMS DSQno
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiCandida Tropicalisn/an/a
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MS
FungiPaecilomyces Variotii BainDG18GC/MS
FungiPenicillium Commune PittDG18GC/MS
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiTrichodema PseudokoningiiLow mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
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
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Uncinatumn/aSPME-GC-MS
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
BacteriaCyanobacterian/an/a
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


(methyldisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names
Methyldisulfanylmethane
Methyldithiomethane
dimethyldisulphide
Dimethyldisulfide
methyldisulfanyl methane
Methyldisulfide
Dimethyl disulphide
WQOXQRCZOLPYPM-UHFFFAOYSA-N
Dimethyl disulfide
methyl disulphide
Disulfide dimethyl
METHYL DISULFIDE
(Methyldisulfanyl)methane
DMDS
Sulfa-hitech
Dimethyl disulfide, analytical standard
(Methyldithio)methane
(Methyldisulfanyl)methane #
Disulfide, dimethyl
AC1Q4HER
AC1Q4HEQ
1,2-Dimethyldisulfane
PubChem9665
Dimethyl disulfide, >=99%
AC1L1Z53
2,3-Dithiabutane
Dimethyl disulfide, 99%
NSC9370
UN2381
Dimethyl disulfide, 98%
HMDB05879
D0714
CTK2F3131
RP18575
CHEBI:4608
CCRIS 2939
C08371
BDBM233038
Methyl disulfide (8CI)
WLN: 1SS1
3P8D642K5E
HSDB 6400
LS-1499
DTXSID4025117
NSC 9370
NSC-9370
OR000230
OR291634
CHEMBL1347061
Sulfa-hitech 0382
UN 2381
(1/4)x>>u paragraph signthornAoAN
(CH3S)2
UNII-3P8D642K5E
ZINC8221057
A833808
Dimethyl disulfide, >=99.0%
DSSTox_CID_5117
KB-76616
AN-22028
TL8004165
Dimethyl disulfide, >=98%, FG
DSSTox_GSID_25117
DSSTox_RID_77673
MFCD00008561
AI3-25305
TR-021489
RTR-021489
I09-0129
Q-100719
AKOS009157459
FEMA No. 3536
FT-0625135
METHYL, [(THIOMETHYL)THIO]-
Dimethyl disulfide, natural, >=98%, FG
EN300-36043
Tox21_201525
F0001-1676
624-92-0
NCGC00259075-01
NCGC00091798-02
NCGC00091798-01
MCULE-7451882535
EINECS 272-923-9
CAS-624-92-0
Dimethyl disulfide [UN2381] [Flammable liquid]
EINECS 210-871-0
Dimethyl disulfide [UN2381] [Flammable liquid]
MolPort-003-929-787
Dimethyl disulfide, purum, >=98.0% (GC)
224638-EP2371831A1
InChI=1/C2H6S2/c1-3-4-2/h1-2H
Microorganism:

Yes

IUPAC name(methyldisulfanyl)methane
SMILESCSSC
InchiInChI=1S/C2H6S2/c1-3-4-2/h1-2H3
FormulaC2H6S2
PubChem ID12232
Molweight94.19
LogP1.35
Atoms10
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 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)(2) is estimated as 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)
Vapor Pressure
PressureReference
28.7 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
BacteriaStreptomyces Alboflavus TD-1n/aWang et al., 2013
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaActinomycetes Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAeromonas VeroniiThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAlcaligenes Faecalisn/aZou et al., 2007
BacteriaAlcaligenes Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nitroguajacoliusn/aZou et al., 2007
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Cereus ATCC 14570American 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
BacteriaBacillus Polymyxa ATCC 842American 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
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/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 Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaCitrobacter Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaDyella Sp. AD56nanaTyc et al., 2015
BacteriaEnterobacter Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaEnterococcus Durans ATCC 19432American 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
BacteriaEnterococcus Faecium ATCC 19434American 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 Colin/aSiripatrawan 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
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaKlebsiella OxytocaThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaKlebsiella Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus BrevisThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus HilgardiiThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Lactis ATCC 11955American 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
BacteriaLactobacillus PlantarumThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactococcus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLeuconostoc Mesenteroides ATCC 8086American 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
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsPogačić et al., 2015
BacteriaLimnobacter Thiooxidans LMG 19593n/aBlom et al., 2011
BacteriaLysobacter Gummosusn/aZou et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaOenococcus OeniThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
BacteriaPseudomonas Aeruginosa PUPa3n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphis 450bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaPseudomonas Putida USB2105reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2106reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Tolaasii NCPPB 2192nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB1nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB66nanaCantore et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudonocardia Thermophila DSM 43832nasoilWilkins, 1996
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica PRI-2Cstimulates growth of Pseudomonas fluorescens Pf0-1maize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaSerratia Proteamaculans 94bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansspoiled meatPopova et al., 2014
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaSerratia Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaSporosarcina Ginsengisolin/aZou et al., 2007
BacteriaStaphylococcus Aureusn/aElgaali et al., 2002
BacteriaStenotrophomonas Maltophilian/aZou et al., 2007
BacteriaStreptococcus Agalactiae ATCC 27541American 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
BacteriaStreptococcus Thermophilus ATCC 14485American 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
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/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 Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
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 Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaTsukamurella Sp. AD106nanaTyc et al., 2015
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
Fungi Fusarium Sp.Brock et al. 2012
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Fungi Penicillium Sp.Larsen 1999
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
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 Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
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
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaBrevibacterium Epidermidis YMF3·00155nanaSu et al., 2016
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250naCantal cheesePogačić et al., 2016
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaProvidencia Rettgeri YMF3·00150nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Aeruginosa ATCC 10145nasoil, water, skin floraSchoeller et al., 1997
BacteriaPseudomonas Fluorescens R2Fnasoil, water, plantsSchoeller et al., 1997
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
BacteriaSerratia Liquefaciens SM 1302nasoil, water, plants; digestive tracts of rodents, insects, fish, humansSchoeller et al., 1997
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaPseudomonas AeruginosaclinicPreti., 2009
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Clavigerumcompost Fischer et al. 2067
FungiTuber Magnatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaPseudomonas Putida BP25Rpositive influence of the plant root growth and protection against soil-borne pathogensSheoran et al., 2015
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
FungiTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause's synthetic mediumHeadspace, solid-phase microextraction
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaActinomycetes Spp.n/an/a
BacteriaAeromonas Veroniin/an/a
BacteriaAlcaligenes Faecalisn/an/a
BacteriaAlcaligenes Spp.n/an/a
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Cereus ATCC 14570TS brothGC-MS SPMEyes
BacteriaBacillus Polymyxa ATCC 842TS brothGC-MS SPMEyes
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBurkholderia Caribensis LMG 18531LB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247MR-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 Pyrrocinia LMG 21822LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaBurkholderia Terricola LMG 20594LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
BacteriaBurkholderia Xenovorans LMG 21463LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaCitrobacter Sp.n/an/a
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCupriavidus Necator LMG 1199MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaDyella Sp. AD56Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaEnterobacter Spp.n/an/a
BacteriaEnterococcus Durans ATCC 19432TS brothGC-MS SPMEyes
BacteriaEnterococcus Faecium ATCC 19434TS brothGC-MS SPMEyes
BacteriaEscherichia ColiSuper broth made up of tryptone, yeast, NaClHS-SPME/GC-MS
BacteriaEscherichia Coli ATCC15547TS brothGC-MS Super Qno
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaKlebsiella Oxytocan/an/a
BacteriaKlebsiella Sp.n/an/a
BacteriaLactobacillus Brevisn/an/a
BacteriaLactobacillus Hilgardiin/an/a
BacteriaLactobacillus Lactis ATCC 11955TS brothGC-MS SPMEyes
BacteriaLactobacillus Plantarumn/an/a
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaLeuconostoc Mesenteroides ATCC 8086TS brothGC-MS SPMEyes
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250Man Rogosa Sharpe broth (MRS)Tenaxâ„¢-trap/GC-MS
BacteriaLimnobacter Thiooxidans LMG 19593AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaLysobacter Gummosusn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaOenococcus Oenin/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaPandoraea Norimbergensis LMG 18379LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaPseudomonas Aeruginosa PUPa3LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Chlororaphis 450LB mediumSPME-GC/MSNo
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Fluorescens WCS 417rLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS
BacteriaPseudomonas Putida ISOfLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2106King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Tolaasii NCPPB 2192KBSPME-GC
BacteriaPseudomonas Tolaasii USB1KBSPME-GC
BacteriaPseudomonas Tolaasii USB66KBSPME-GC
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSerratia Entomophilia A1MO2LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescensn/an/a
BacteriaSerratia Marcescens MG1LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica HRO-C48LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans 94LB mediumSPME-GC/MSNo
BacteriaSerratia Proteamaculans B5aLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Sp.n/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStaphylococcus AureusTS brothHS-SPME/GC-MS
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptococcus Agalactiae ATCC 27541TS brothGC-MS SPMEyes
BacteriaStreptococcus Thermophilus ATCC 14485TS brothGC-MS SPMEyes
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus IFO 13014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Lateritiusn/an/a
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Olivaceus ETH 6445Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Olivaceus ETH 7437Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp. AMI 243Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
FungiAspergillus Versicolor TiraboschiDG18GC/MS
Fungi Fusarium Sp.no
FungiPenicillium Commune PittMEAGC/MS
Fungi Penicillium Sp.no
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaBrevibacterium Epidermidis YMF3·00155LB mediumSPME-GC/MSNo
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaEscherichia Colitryptone, yeast extractGC-MS (SPB-5)no
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250curd-based broth mediumGC/MSYes
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaProvidencia Rettgeri YMF3·00150LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Aeruginosa ATCC 10145AB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Fluorescens R2FAB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaSerratia Liquefaciens SM 1302AB medium + 1% citrateGC-FID,GC/MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus AureusTS brothGC-FIDno
FungiSaccharomyces Cerevisiae Y1001n/an/a
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/GC-MS
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
FungiTuber BorchiiNoneNoneYes
FungiTuber MelanosporumNoneNoneYes


(methyltrisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names
methylsulfanyldisulfanyl-methane
dimethyltrisulfane
DIMETHYLTRISULFIDE
Dimethyl trisulfide
Dimethyl trisulphide
(methyltrisulfanyl)methane
YWHLKYXPLRWGSE-UHFFFAOYSA-N
Methyl trisulfide
Dimethyl trisulfide, analytical standard
DMTS
Trisulfide, dimethyl
CH3SSSCH3
trisulfane, dimethyl-
AC1L2DW2
ACMC-1CKK0
2,4-Trithiapentane
KSC223A3D
1,3-Dimethyltrisulfane #
CTK1C3031
D3418
SCHEMBL446658
NSC97324
Methyl trisulfide (8CI)
3E691T3NL1
C08372
CHEBI:4614
2,3,4-Trithiapentane
OR352850
OR022978
DTXSID9063118
Jsp006510
A823301
ZINC4097550
UNII-3E691T3NL1
AN-20923
CJ-11315
CC-26995
Dimethyl trisulfide, >=98%, FG
TRA0026026
ANW-28444
NSC-97324
NSC 97324
FCH1116209
MFCD00039808
C-34424
ZINC04097550
RT-000574
AI3-26172
DB-003633
AKOS015897465
I09-0152
Q-100435
FEMA No. 3275
3658-80-8
EINECS 222-910-9
85931-54-0
MolPort-003-939-109
InChI=1/C2H6S3/c1-3-5-4-2/h1-2H
Microorganism:

Yes

IUPAC name(methyltrisulfanyl)methane
SMILESCSSSC
InchiInChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
FormulaC2H6S3
PubChem ID19310
Molweight126.25
LogP1.94
Atoms11
Bonds10
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides Sulfide thioethers sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Anthina LMG 20980n/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 Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Kururiensis LMG 19447n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/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 Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaChryseobacterium Sp. AD48inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin productionnaTyc et al., 2015
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaDyella Sp. AD56inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin productionnaTyc et al., 2015
BacteriaEnterococcus Durans ATCC 19432American 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 OxytocaThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Lactis ATCC 11955American 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
BacteriaLactobacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactococcus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLeuconostoc Mesenteroides ATCC 8086American 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
BacteriaLeuconostoc Mesenteroides Subsp. Cremoris CIRM1303can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsPogačić et al., 2015
BacteriaListeria Monocytogenes ATCC 19115American 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
BacteriaListeria Monocytogenes ATCC 43256American 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
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaPseudomonas Aeruginosa PUPa3n/aBlom et al., 2011
BacteriaPseudomonas AurantiacaInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas ChlororaphisInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas CorrugateInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas FluorescensInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
BacteriaPseudomonas Putida BP25Rpositive influence of the plant root growth and protection against soil-borne pathogensSheoran et al., 2015
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaPseudomonas Putida USB2105reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2106reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudonocardia Thermophila DSM 43832nasoilWilkins, 1996
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
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 Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaSerratia Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaShewanella Algae YM8inhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidiasea sediment in east China coastGong et al., 2015
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
BacteriaStreptococcus Thermophilus ATCC 14485American 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
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/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 Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaTsukamurella Sp. AD106inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin productionnaTyc et al., 2015
BacteriaUrkholderia Phenoliruptrix LMG 22037RhizosphereBlom et al., 2011
Fungi Fusarium Sp.Dickschat et a
Fungi Penicillium Sp.Citron et al. 2012
FungiPleurotus CystidiosusnanaUsami et al., 2014
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 BorchiiAroma active compound in Tuber melanosporum and Tuber aestivum syn Tuber uncinatumnaSplivallo and Ebeler 2015
FungiTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
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 Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaLeuconostoc Mesenteroides Subsp. Cremoris CIRM1303nagoat cheesePogačić et al., 2016
BacteriaPseudomonas Aeruginosa ATCC 10145nasoil, water, skin floraSchoeller et al., 1997
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
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 Magnatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Cereus B-569LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Anthina LMG 20980LB Headspace 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 1222LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBurkholderia Fungorum LMG 16225LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Kururiensis LMG 19447MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993LB 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 22037MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaBurkholderia Xenovorans LMG 21463LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCupriavidus Necator LMG 1199LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaDyella Sp. AD56Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaEnterococcus Durans ATCC 19432TS brothGC-MS SPMEyes
BacteriaKlebsiella Oxytocan/an/a
BacteriaLactobacillus Lactis ATCC 11955TS brothGC-MS SPMEyes
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaLeuconostoc Mesenteroides ATCC 8086TS brothGC-MS SPMEyes
BacteriaLeuconostoc Mesenteroides Subsp. Cremoris CIRM1303Man Rogosa Sharpe broth (MRS)Tenaxâ„¢-trap/GC-MS
BacteriaListeria Monocytogenes ATCC 19115TS brothGC-MS SPMEyes
BacteriaListeria Monocytogenes ATCC 43256TS brothGC-MS SPMEyes
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaPandoraea Norimbergensis LMG 18379MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Aeruginosa PUPa3MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/GC-MS
BacteriaPseudomonas Putida ISOfLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2106King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSerratia Entomophilia A1MO2LB Headspace 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 Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica HRO-C48LB 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 Sp.n/an/a
BacteriaShewanella Algae YM8NA mediumSPME-GC/MSYes
BacteriaStenotrophomonas Rhizophilla Ep10-p69MR-VPHeadspace 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
BacteriaStreptococcus Thermophilus ATCC 14485TS brothGC-MS SPMEyes
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus IFO 13014n/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 Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
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 Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Spp. AMI 243n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaStreptomyces Thermoviolaceus IFO 12382n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaUrkholderia Phenoliruptrix LMG 22037MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
Fungi Fusarium Sp.no
Fungi Penicillium Sp.no
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber BorchiinaSPME-GC/MS/O); GC-RYes
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaLeuconostoc Mesenteroides Subsp. Cremoris CIRM1303curd-based broth mediumGC/MSYes
BacteriaPseudomonas Aeruginosa ATCC 10145AB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaMyxobacterium Spp.n/an/a
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber MelanosporumYes


1-methyl-4-prop-1-en-2-ylcyclohexene

Mass-Spectra

Compound Details

Synonymous names
Monocyclic terpene hydrocarbons
Polydipentene
Polylimonene
Polymerized dipentene
Absolute petitgrain
Cajeputene
Terpodiene
Achilles dipentene
Cajeputen
Dipenten
Dipentene
Dipentene polymer
Inactive limonene
Kautschin
LIMONENE
Methyl-4-isopropenylcyclohexene
XMGQYMWWDOXHJM-UHFFFAOYSA-N
Cinene
Dipanol
Eulimen
Limonen
Limonene polymer
Petitgrain citronnier oil
Unitene
Absolue orange flower decoloree
Absolute orange flowers
alpha-Limonene
beta-Limonene
Ciene
Cinen
Cyclil decene
Flavor orange
Lemon extract
Lemon tincture
Nesol
Orange flavor
Orange flower absolute
Orange oil concentrate
Petitgrain bigarade sur fleurs d'oranger
Absolue orange flower
Acintene DP
Acintene DP dipentene
Citrus limon extract
DL-Limonene
Goldflush II
Lemon oil concentrate
Lemon petitgrain oil
a-limonene
Cedro oil
Citrus sinensis oil
LEMON OIL
Lemon petigrain oil
Neroli oil
Orange flower water absolute
Orange oil
AC1Q2ODZ
Citrus limon oil
Dipentene, crude
Extract of lemon
Oil sweet orange
Orange flower oil
Sweet orange oil
1-Methyl-4-isopropenylcyclohexene
4-Isopropenyl-1-methylcyclohexene
Absolue orange flower from water
Citrus sinensis peel oil
Orange leaf oil
Terpenes and Terpenoids, limonene fraction
d,l-Limonene
Oil of lemon
OIL OF ORANGE
Oils, orange
Orange oil, distilled
AC1L2K5B
AC1Q1J4Q
AC1Q1J4R
Dipentene, mixture of isomers
Lemon oil, distilled
Neroli oil, pommade
Oil of sweet orange
Oils, citrus limonia
Oils, lemon
Sweet orange oil, terpeneless
DL-4-Isopropenyl-1-methylcyclohexene
ESSENCE DE PIN PF
Lemon oil, Guinea
Lemon oil, Italian
NSC844
Orange oil, sweet
Orange sweet oil, expressed
.alpha.-Limonene
4-isopropenyl-1-methyl-cyclohexene
Dipentene 200
Dipentene, tech.
Methyl-4-isopropenyl-1-cyclohexene
Neat oil of sweet orange
C10H16
CHEMBL15799
DIPENTENE 38 PF
Limonene, dl-
Orange peel oil, sweet
Racemic: DL-limonene; dipentene
UN2052
(?)-Limonene
c0626
CCRIS 683
Citrus medica var. limonum oil
CTK5C8417
d-Limonene (Limonene)
L0046
Limonene, L-
Zitronen oel [German]
delta-1,8-Terpodiene
Methyl-4-(1-methylethenyl)cyclohexene
NSC 844
NSC-844
NSC21446
Oils, orange, sweet
Orange oil, distilled, sweet
Orange oil, sweet, expressed
PC 560
RP20299
Zonarez 7085
Zonarez 7115
1-Methyl-p-isopropenyl-1-cyclohexene
1,8-p-Menthadiene
C06078
d-Limonene (JAN)
D00194
HMS3264E05
HSDB 1809
HSDB 1931
HSDB 1934
HSDB 1944
AK176153
BT000140
DTXSID2029612
LS-2278
LS-2880
Mentha-1,8-diene
NSC757069
OR012480
OR111377
OR111378
OR217376
OR339605
OR369142
STK801934
UN 2052
( inverted exclamation markA)-limonene(dipentene)
1-Methyl-4-isopropenyl-1-cyclohexene
1-methyl-4-isopropenylcyclohex-1-ene
4-Isopropenyl-1-methyl-1-cyclohexene
CHEBI:15384
DSSTox_CID_9612
AN-19448
AN-21149
AN-21151
AN-21831
AN-23147
Caswell No. 425A
d(R)-4-Isopropenyl-1-methylcyclohexene
DSSTox_GSID_29612
limonene, (S)-isomer
LS-89490
LS-89491
LS-98217
NSC 21446
NSC-21446
SC-80005
Caswell No. 526
Cyclohexene, 4-Isopropenyl-1-methyl-
DSSTox_RID_78787
MFCD00062992
p-Mentha-1,8-diene
1-Methyl-4-(1-methylethenyl)cyclohexene
AI3-00739
AI3-25390
CCG-214016
LS-180589
LS-181342
NSC-757069
ST51046654
(+-)-Dipentene
(+-)-Linonene
AKOS009031280
DIPENTENE (+-)
EPA Pesticide Chemical Code 040501
EPA Pesticide Chemical Code 040517
EPA Pesticide Chemical Code 079701
J-007186
J-520048
.delta.-1,8-Terpodiene
4-mentha-1,8-diene
Di-p-mentha-1,8-diene
DL-p-mentha-1,8-diene
FEMA No. 2822
FEMA No. 2853
FT-0600409
FT-0605227
(+-)-alpha-Limonene
I14-18195
I14-53978
Mentha-1,8-diene, DL
p-Mentha-1, dl-
p-Mentha-1,8-diene, polymers
4-(1-methylethenyl)-1-methyl-cyclohexene
EN300-21627
NCI60_041856
Tox21_112068
Tox21_201818
Tox21_303409
(+/-)-Limonene
1-methyl-4-(1-methylethenyl)-cyclohexen
1,8(9)-p-Menthadiene
138-86-3
555-08-8
Limonene, (+)-
limonene, (+-)-isomer
7705-14-8
8022-90-0
8050-32-6
9003-73-0
Dipentene, p.a., 95%
MCULE-2462317444
MENTHA-1,8-DIENE (DL)
NCGC00163742-01
NCGC00163742-02
NCGC00163742-03
NCGC00163742-04
NCGC00257291-01
NCGC00259367-01
AB01563249_01
CAS-138-86-3
Cyclohexene, 1-methyl-4-(1-methylethynyl)
Cyclohexene,1-methyl-4-(1-methylethenyl)-
Dipentene [UN2052] [Flammable liquid]
EINECS 205-341-0
EINECS 227-815-6
EINECS 231-732-0
(.+-.)-Dipentene
(.+-.)-Limonene
1-methyl-4-prop-1-en-2-ylcyclohexene
26123-39-7
65996-98-7
68246-90-2
p-Mentha-1,8(9)-diene
Pharmakon1600-00307080
p-Mentha-1,8-diene, dl-
SR-01000872759
1-methyl-4-(1-methylvinyl)cyclohex-1-ene
WLN: L6UTJ A1 DY1 & U1
(+-)-(RS)-limonene
Cyclohexene, 1-methyl-4-(1-methylethenyl)-
Dipentene [UN2052] [Flammable liquid]
MolPort-001-782-985
(.+/-.)-Dipentene
(.+/-.)-Limonene
1-METHYL-4-PROP-1-EN-2-YL-CYCLOHEXENE
Limonene, (+/-)-
Orange oil, terpeneless (Citrus sinensis (L.) Osbeck)
(1)-1-Methyl-4-(1-methylvinyl)cyclohexene
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, homopolymer
Cyclohexene, (.+-.)-
SR-01000872759-1
1-methyl-4-(prop-1-en-2-yl)cyclohexene
ORANGE, OIL, DISTILLED (CITRUS SINENSIS (L.) OSBECK)
( inverted exclamation markA)-1,8-p-menthadiene,( inverted exclamation markA)-limonene
Dipentene, technical, for use as solvent (for the paint industry), mixture of various terpenes
1-Methyl-4-(1-methylethenyl)cyclohexene, (S)-
ORANGE PEEL, SWEET, OIL (CITRUS SINENSIS (L.) OSBECK)
(.+/-.)-.alpha.-Limonene
(+/-)-p-Mentha-1,8-diene
Petitgrain lemon oil (Citrus limon (L.) Burm. f.)
(s)-(-)-4-isopropenyl-1-methyl-1-cyclohexene
1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
p-Mentha-1,8-diene, (+-)-
p-Mentha-1, (.+-.)-
lemon, oil (citrus limon (l.) burm. f.)
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-
4B4F06FC-8293-455D-8FD5-C970CDB001EE
Cyclohexene,3-methyl-6-(1-methylethenyl)-, (3R,6R)-rel-
Dipentene, mixt. of limonene, 56-64%, and terpinolene, 20-25%
p-Mentha-1,8-diene, (.+/-.)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (+/-)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+/-.)-
Microorganism:

Yes

IUPAC name1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESCC1=CCC(CC1)C(=C)C
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
FormulaC10H16
PubChem ID22311
Molweight136.238
LogP3.22
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes

mVOC Specific Details

Volatilization
Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). The Henry's Law constant for alpha- and beta-pinene have been measured as 0.134 and 0.0679 atm-cu m/mole respectively at 25 deg C(2). These Henry's Law constants indicate that alpha- and beta-pinene are expected to volatilize rapidly from water surfaces(3). Based on these Henry's Law constants, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.6 days(SRC). alpha- and beta-Pinene's Henry's Law constants indicate that volatilization from moist soil surfaces may occur(SRC). alpha- and beta-Pinene are expected to volatilize from dry soil surfaces(SRC) based upon respective vapor pressures of 4.75 and 2.93 mm Hg at 25 deg C(1).
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010; Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for limonene is estimated as 0.032 atm-cu m/mole(SRC) derived from its vapor pressure, 1.55 mm Hg(1), and water solubility, 7.57 mg/L(2). This Henry's Law constant indicates that limonene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). Limonene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of limonene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci Publ (1984) (2) Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for d-limonene is reported as 0.0281 atm-cu m/mole(1). This Henry's Law constant indicates that d-limonene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 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)(2) is estimated as 4.6 days(SRC). d-Limonene's reported Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of d-limonene from dry soil surfaces may exist based upon a vapor pressure of 1.98 mm Hg(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) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)
Solubility
In water, 0.65 to 2.1 mg/L at 25 deg C /primary pinene constituents of turpentine oil/
Literature: USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf
Literature: #Insol in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #Soluble in 5 volumes alcohol; miscible with benzene, chloroform, ether, carbon disulfide, petroleum ether and oils.
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #SLIGHTLY SOL IN WATER; SOL IN 3 VOL ALCOHOL; MISCIBLE WITH CARBON DISULFIDE, GLACIAL ACETIC ACID
Literature: The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 883
Literature: #In water, 7.57 mg/L at 25 deg C
Literature: Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000)
Literature: #Miscible with alcohol
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1021
Literature: #Miscible with 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. V4: 2827
Literature: #Slightly soluble in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #Soluble in 2 vol 90% alcohol, 1 volume glacial acetic acid; miscible with absolute alcohol, carbon disulfide
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #In water, 13.8 mg/L at 25 deg C
Literature: Massaldi HA, King CJ; J Chem Eng Data 18: 393-7 (1973)
Literature: #Miscible with ethanol and ether; soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-338
Literature: #Miscible with fixed oils; slightly soluble in glycerin; insoluble in propylene glycol
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2741
Soil Adsorption
Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). Using a structure estimation method based on molecular connectivity indices(2), the Koc of alpha- and beta-pinene can be estimated to be 1000(SRC). According to a classification scheme(3), this estimated Koc value suggests that alpha- and beta-pinene are expected to have low mobility in soil.
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Dec 27, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc for limonene can be estimated to be 1,100(SRC). According to a classification scheme(2), this estimated Koc value suggests that limonene is expected to have low mobility in soil(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc of d-limonene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that d-limonene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.25 to 0.67 kPa at 20 deg C (1.9 to 5 mm Hg)CDC; International Chemical Safety Cards (ICSC) 2012. Turpentine, ICSC 1063. Atlanta, GA: Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health (NIOSH). Ed Info Div. Available from, as of Dec 26, 2014: http://www.cdc.gov/niosh/ipcs/icstart.html
1.55 mm Hg at 25 deg C /extrapolated/Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
1.98 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Reesein/aCrutcher et al., 2013
FungiTrichoderma Virensn/aCrutcher et al., 2013
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiPenicillium SpinulosumHedlund et al 1995
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
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
FungiLentinula EdodesnanaÇağlarırmak et al., 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aHoeckelmann and Juettner, 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiCantharellus CibariusFranceBreheret et al. 1997
FungiClitocybe OdoraFranceBreheret et al. 1997
FungiCortinarius CinnamomeusFranceBreheret et al. 1997
FungiCystoderma AmianthinumFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiEmericella Nidulanscompost Fischer et al. 2039
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiMycena PuraFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiPenicillium Brevicompactumcompost Fischer et al. 2039
FungiPenicillium Clavigerumcompost Fischer et al. 2039
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium Crustosumcompost Fischer et al. 2039
FungiPenicillium Glabrumcompost Fischer et al. 2039
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
FungiTuber BrumaleFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiPenicillium SpinulosumGC-MSno
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
FungiLentinula EdodesnaGC/MSNo
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus Sciuri876 liquid mediumSPME-GC/MS
BacteriaStreptomyces Citreusn/an/a
BacteriaTolypothrix Distortan/an/a
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiCantharellus Cibariusforest soilsolvent extraction, headspace, GCMSno
FungiClitocybe Odoraforest soilsolvent extraction, headspace, GCMSno
FungiCortinarius Cinnamomeusforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Amianthinumforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiFomitopsis PinicolanaGC/MSNo
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium Crustosumyest extract sucroseTenax/GC-MSno
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiTrichodema PseudokoningiiLow mediumGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
FungiTuber Brumalemicroextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)No
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


S-methyl Butanethioate

Mass-Spectra

Compound Details

Synonymous names
Methanethiol butyrate
Methyl thiobutanoate
Methyl thiolbutyrate
GRLJIIJNZJVMGP-UHFFFAOYSA-N
Methane n-thiolbutyrate
Methanethiol n-butyrate
S-Methyl butanethioate
S-Methyl thiobutyrate
Butanethioic acid,S-methyl ester
S-Methyl butanethioate #
Thiobutyric Acid S-Methyl Ester
AC1L1X4T
Methyl thiobutyrate (natural)
BUTANETHIOIC ACID, S-METHYL ESTER
ACMC-209gaw
M1818
CTK4F3391
2P1E432MYZ
SCHEMBL722981
S-Methyl thiobutanoate, 98%
UNII-2P1E432MYZ
ZINC409240
ZB013888
S-(methyl thio) butyrate
DTXSID5047669
OR012310
CHEBI:89255
1-(methylsulfanyl)butan-1-one
ACM2432511
AN-20806
ANW-25398
Methyl thiobutyrate, >=97%, FG
FCH3464393
MFCD00009872
ZINC00409240
TC-114143
LS-179173
Q-100312
AKOS015950859
J-800454
FEMA No. 3310
Methyl thiobutyrate, natural, 98%, FG
Butyric acid, thio-, S-methyl ester
2432-51-1
EINECS 219-407-1
MolPort-003-929-056
Microorganism:

Yes

IUPAC nameS-methyl butanethioate
SMILESCCCC(=O)SC
InchiInChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
FormulaC5H10OS
PubChem ID62444
Molweight118.19
LogP1.82
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaBrevibacterium Epidermidis YMF3·00155nanaSu et al., 2016
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaProvidencia Rettgeri YMF3·00150nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
BacteriaThermomonospora Fuscan/aSchulz and Dickschat, 2007
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaBrevibacterium Epidermidis YMF3·00155LB mediumSPME-GC/MSNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaProvidencia Rettgeri YMF3·00150LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaStreptomyces Albidoflavusn/an/a
BacteriaStreptomyces Griseusn/an/a
BacteriaThermomonospora Fuscan/an/a
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS


S-methyl Ethanethioate

Compound Details

Synonymous names
Methylthioacetate
Methyl thiolacetate
Methanethiol acetate
methyl ethanethioate
S-METHYLTHIOACETATE
OATSQCXMYKYFQO-UHFFFAOYSA-N
S-Methyl ethanethioate
S-Methyl thioacetate
AC1L2KFM
S-Methyl thioacetate, AldrichCPR
S-Methyl ethanethioate #
Thioacetic acid S-methyl ester
Ethanethioic acid, methyl ester
AC1Q68RR
ACMC-1BTZ5
PF2D4MWX79
KSC493A2H
Ethanethioic acid, S-methyl ester
UNII-PF2D4MWX79
M2286
CTK3J3023
CH3C(O)SCH3
FCH918358
OR031401
OR224946
OR224947
DTXSID3073264
ZINC2004049
CHEBI:51280
CJ-07327
1-(methylsulfanyl)ethan-1-one
AB1006061
AN-49402
CJ-30959
ZINC02004049
MFCD00014989
Ethanethioic acid,S-methyl ester (9CI)
RT-001199
Q-100182
I09-0174
AKOS006229807
FT-0659567
Acetic acid, thio-, S-methyl ester
S-Methyl thioacetate, natural, >=96%, FG
1534-08-3
EINECS 216-252-1
MolPort-006-113-372
InChI=1/C3H6OS/c1-3(4)5-2/h1-2H
Microorganism:

Yes

IUPAC nameS-methyl ethanethioate
SMILESCC(=O)SC
InchiInChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
FormulaC3H6OS
PubChem ID73750
Molweight90.14
LogP0.68
Atoms11
Bonds10
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters Ester sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/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 ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaPseudomonas Chlororaphis 450naRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaClostridium Difficile R002nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R005nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R013nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R014/R020nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R026nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R027nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R078nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R087nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R107nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus IFO 13014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaPseudomonas Chlororaphis 450LB mediumSPME-GC/MSNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBrevibacterium Linensn/an/a
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaLactococcus Lactisn/an/a
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaStreptomyces Albidoflavusn/an/a
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Spp.n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaClostridium Difficile R002brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R005brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R013brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R014/R020brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R026brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R027brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R078brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R087brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R107brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo


(methyltetrasulfanyl)methane

Compound Details

Synonymous names
methyldisulfanyldisulfanyl-methane
dimethyltetrasulfane
Dimethyl pertetrasulfide
Dimethyl tetrasulphide
Dimethyl tetrasulfide
(methyltetrasulfanyl)methane
NPNIZCVKXVRCHF-UHFFFAOYSA-N
Tetrasulfide, dimethyl
1,4-Dimethyltetrasulfane
1,4-Dimethyltetrasulfide
AC1L2Y8C
AC1Q7ED4
1,4-Dimethyltetrasulfane #
CTK1G9074
SCHEMBL565279
DTXSID0063997
OR287835
OR041598
AM806645
A831505
KB-50078
AN-19149
C-51300
I09-0133
AKOS006282487
5756-24-1
EINECS 227-278-8
85931-55-1
Microorganism:

Yes

IUPAC name(methyltetrasulfanyl)methane
SMILESCSSSSC
InchiInChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3
FormulaC2H6S4
PubChem ID79828
Molweight158.31
LogP2.54
Atoms12
Bonds11
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides thioethers sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaTsukamurella Sp. AD106nanaTyc et al., 2015
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaMyxococcus Xanthusn/an/a
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseusn/an/a
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaMyxobacterium Spp.n/an/a
BacteriaStreptomycesYPD agarGCxGC-TOFMSno


S-methyl Propanethioate

Compound Details

Synonymous names
METHYLTHIOPROPIONATE
AIILTVHCLAEMDA-UHFFFAOYSA-N
s-methyl thiopropionate
S-Methyl thiopropanoate
S-Methyl propanethioate
AC1LAW6I
Propanethioicacid, S-methyl ester
Propanethioic acid S-methyl ester
Propanethioic acid, S-methyl ester
3WP1B49B1P
S-Methyl propanethioate [FHFI]
CTK5A9666
UNII-3WP1B49B1P
FCH837873
SCHEMBL1245998
1-(methylsulfanyl)propan-1-one
ZINC32154765
Q-100686
AKOS006272057
FEMA No. 4172
Propionic acid, thio-, S-methyl ester
5925-75-7
Microorganism:

Yes

IUPAC nameS-methyl propanethioate
SMILESCCC(=O)SC
InchiInChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
FormulaC4H8OS
PubChem ID521869
Molweight104.17
LogP1.38
Atoms14
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaStreptomyces Albidoflavusn/an/a


(5E)-6,10-dimethylundeca-5,9-dien-2-one

Mass-Spectra

Compound Details

Synonymous names
Dihydropseudoionone
Dihydropseudoionon
Geranylacetone
trans-Geranylacetone
HNZUNIKWNYHEJJ-UHFFFAOYSA-N
HNZUNIKWNYHEJJ-FMIVXFBMSA-N
E-geranylacetone
Geranyl acetone
E-geranyl acetone
AC1LU8LG
Geranyl-2-propanone
Geranylacetone, trans-
(E)-geranylacetone
OR6045
G0236
9B7RY79U9Z
SCHEMBL112856
SCHEMBL112855
.alpha.,.beta.-Dihydropseudoionone
UNII-9B7RY79U9Z
SBB001603
LP087100
DTXSID4052053
BC215970
BBL027735
AK114541
NSC406679
STK709221
ZINC1599359
A836300
CHEBI:67206
TL8006596
KB-85102
CJ-25699
CJ-05670
CC-28962
ST4049797
AX8131983
AN-21854
AJ-27939
LMFA11000696
MFCD00008910
ZX-AT020951
ZINC01599359
ZERO/001230
BB_NC-0303
LS-179607
NSC-406679
ST24029559
TR-022974
AKOS005522601
W-104645
FEMA No. 3542
FT-0688109
FT-0626654
I14-19509
689-67-8
I14-113754
3796-70-1
NCGC00249179-01
MCULE-9307860172
EINECS 223-269-8
EINECS 269-400-2
5, 6,10-dimethyl-
Undecadien-2-one, 6,10-dimethyl-
MolPort-001-769-753
6,10-dimethyl-5,9-undecadiene-2-one
6,10-Dimethyl-5,9-undecadien-2-one
6,10-Dimethylundeca-5,9-dien-2-one
2,6-dimethylundeca-2,6-dien-10-one
trans-6,10-Dimethyl-5,9-undecadien-2-one
6,10-Dimethyl-5(E),9-undecadien-2-one
2,6-Dimethyl-2,6-undecadien-2-one, trans-
6,10-Dimethyl-5,9-undecadien-2-one, trans-
(E)-6,10-Dimethyl-5,9-undecadien-2-one
6,10-dimethyl-(E)-5,9-undecadien-2-one
(E)-6,10-Dimethylundeca-5,9-dien-2-one
(5E)-6,10-dimethylundeca-5,9-dien-2-one
(5E)-6,10-dimethyl-2-undeca-5,9-dienone
(5E)-6,10-dimethyl-5,9-undecen-2-one
6,10-Dimethyl-5,9-undecadien-2-one, (E)-
6,10-Dimethyl-5,9-undecadien-2-one, >=97%, stabilized, FG
5,9-Undecadien-2-one, 6,10-dimethyl-, (E)-
5,9-Undecadien-2-one, 6,10-dimethyl-, (5E)-
Geranylacetone, (E)+(Z), 97%, (Z)-isomer (nerylacetone) ca 45%
Microorganism:

Yes

IUPAC name(5E)-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=CCCC(=CCCC(=O)C)C)C
InchiInChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
FormulaC13H22O
PubChem ID1549778
Molweight194.318
LogP3.68
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Ketones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
FungiTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiTrichoderma VirideHung et al., 2013
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
FungiTuber BorchiiNoneNoneYes
FungiTuber MelanosporumNoneNoneYes
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
FungiGanoderma LucidumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo


1-methyl-4-propan-2-ylidenecyclohexene

Mass-Spectra

Compound Details

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

Yes

IUPAC name1-methyl-4-propan-2-ylidenecyclohexene
SMILESCC1=CCC(=C(C)C)CC1
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
FormulaC10H16
PubChem ID11463
Molweight136.238
LogP3.12
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details

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

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