Results for:
Species: Streptomyces alboflavus TD-1

(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
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


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

Mass-Spectra

Compound Details

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

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


(Z)-pentadec-6-en-1-ol

Compound Details

Synonymous names
HOHBDLSNJIZNTQ-KTKRTIGZSA-N
AC1NSLWV
SCHEMBL7708320
(Z)6-Pentadecen-1-ol
(z)-6-pentadecen-1-ol
(6Z)-6-Pentadecen-1-ol
68797-95-5
(Z)-pentadec-6-en-1-ol
(6Z)-6-Pentadecen-1-ol #
IUPAC name(Z)-pentadec-6-en-1-ol
SMILESCCCCCCCCC=CCCCCCO
InchiInChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-10,16H,2-8,11-15H2,1H3/b10-9-
FormulaC15H30O
PubChem ID5365626
Molweight226.404
LogP5.33
Atoms46
Bonds45
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


7,7-dimethylbicyclo[4.1.0]hept-3-ene-4-carbaldehyde

Compound Details

Synonymous names
UUEWWPMRAWHKBO-UHFFFAOYSA-N
AC1LC9HQ
CTK0E9435
OR222155
SCHEMBL4096316
DTXSID40341282
3-Caren-10-al
14595-13-2
7,7-dimethylbicyclo[4.1.0]hept-3-ene-4-carbaldehyde
7,7-Dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde #
Bicyclo[4.1.0]hept-3-ene-3-carboxaldehyde, 7,7-dimethyl-
IUPAC name7,7-dimethylbicyclo[4.1.0]hept-3-ene-4-carbaldehyde
SMILESCC1(C2C1CC(=CC2)C=O)C
InchiInChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h3,6,8-9H,4-5H2,1-2H3
FormulaC10H14O
PubChem ID572048
Molweight150.221
LogP1.83
Atoms25
Bonds26
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes aldehydes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene

Compound Details

Synonymous names
JYPYONFSJRKPQY-UHFFFAOYSA-N
AC1LC74G
CTK6B2766
6,7-Dimethyl-1,2,3,5,8,8a-hexahydronaphthalene
IUPAC name6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene
SMILESCC1=C(CC2=CCCCC2C1)C
InchiInChI=1S/C12H18/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h5,12H,3-4,6-8H2,1-2H3
FormulaC12H18
PubChem ID570683
Molweight162.276
LogP3.39
Atoms30
Bonds31
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


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

Mass-Spectra

Compound Details

Synonymous names
OPFTUNCRGUEPRZ-UHFFFAOYSA-N
AC1L1VID
OR276399
OR216895
OR050742
LS-56795
1-Methyl-1-vinyl-2,4-diisopropenylcyclohexane
2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane #
(- )-bete-elemene
EN300-296339
beta-Elemene, (-)-
EINECS 251-713-0
33880-83-0
100762-52-5
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-
(1alpha,2beta,4beta)-1-Methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane
1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1alpha,2beta,4beta)-
CYCLOHEXANE 1-ETHENYL-1-METHYL-2 4-BIS(1-METHYLETHENYL)- (1S 2S 4R)-
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-
IUPAC name1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SMILESCC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
InchiInChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3
FormulaC15H24
PubChem ID10583
Molweight204.357
LogP4.74
Atoms39
Bonds39
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkanes terpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
FungiPenicillium Clavigerumcompost Fischer et al. 2032
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno


1,1,4,4-tetramethyl-2,6-dimethylidenecyclohexane

Compound Details

Synonymous names
CPNXMPZWWCCREI-UHFFFAOYSA-N
AC1L1ZV2
CTK8I6095
OR267703
DTXSID70193498
1,1,4,4-tetramethyl-2,6-dimethylidenecyclohexane
1,3-Dimethylene-2,2,5,5-tetramethylcyclohexane
40482-18-6
1,3-Dimethylen-2,2,5,5-tetramethylcyclohexan
1,1,4,4-Tetramethyl-2,6-dimethylenecyclohexane #
1,1,4,4-Tetramethyl-2,6-bis(methylene)cyclohexane
CYCLOHEXANE,1,1,4,4-TETRAMETHYL-2,6-BIS(METHYLENE)-
Cyclohexane, 1,1,4,4-tetramethyl-2,6-bis(methylene)-
IUPAC name1,1,4,4-tetramethyl-2,6-dimethylidenecyclohexane
SMILESCC1(CC(=C)C(C(=C)C1)(C)C)C
InchiInChI=1S/C12H20/c1-9-7-11(3,4)8-10(2)12(9,5)6/h1-2,7-8H2,3-6H3
FormulaC12H20
PubChem ID38478
Molweight164.292
LogP3.72
Atoms32
Bonds32
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


Cyclohexylmethanol

Mass-Spectra

Compound Details

Synonymous names
Cyclohexylmethane;cyclohexyl-methano;Cyclohexylmethyl alcohol;hexahydro-benzylalcohol
Hydroxymethylcyclohexane
Cyclohexylmethanol
Cyclohexylcarbinol
CYCLOHEXANEMETHANOL
Cyclohexanecarbinol
hydroxymethyl-cyclohexane
Hexahydrobenzyl alcohol
Cyclohexylmethyl alcohol
1-hydroxymethylcyclohexane
4-cyclohexylmethylalcohol
CyclohexYl-Methanol
CYCLOHEXYL CARBINOL
cyclohexane-methanol
(Hydroxymethyl)cyclohexane
VSSAZBXXNIABDN-UHFFFAOYSA-
VSSAZBXXNIABDN-UHFFFAOYSA-N
(hydroxymethyl)-cyclohexane
cyclohexylmethan-1-ol
ACMC-1BSUF
Methanol, cyclohexyl-
AC1Q7C8Z
AC1L1OX1
Cyclohexylmethanol, United States Pharmacopeia (USP) Reference Standard
Benzyl alcohol, hexahydro-
PubChem3098
M217
AC1Q7C90
NSC5288
SCHEMBL20903
4VDR6634UG
USAF DO-49
ACT10090
NE10104
RP19156
A15048
UNII-4VDR6634UG
Cyclohexanemethanol, ReagentPlus(R), >=99%
NSC 5288
NSC-5288
OR000374
OR192631
DTXSID3059212
SBB061328
WLN: L6TJ A1Q
ZINC1680819
GEO-00862
SC-00039
AJ-29641
AK-47687
ANW-14298
CJ-06285
CJ-27629
TRA0041536
LS-56891
KB-49212
TRA0084492
TS-01583
ZINC01680819
MFCD00001510
Cyclohexanemethanol, 99% 25g
DB-016119
ST51047352
ST24030281
RT-000229
AI3-01172
AM20070443
J-660045
AKOS000249005
I14-0566
J-520159
J-640289
FT-0624189
BRN 0773712
Cyclohexanemethanol, Vetec(TM) reagent grade, 98%
EN300-21580
Z1201023032
100-49-2
MCULE-6571547092
EINECS 202-857-8
MolPort-001-779-796
65174-EP2308812A2
65174-EP2298742A1
65174-EP2277861A1
65174-EP2269977A2
4-06-00-00106 (Beilstein Handbook Reference)
InChI=1/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
IUPAC namecyclohexylmethanol
SMILESC1CCC(CC1)CO
InchiInChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
FormulaC7H14O
PubChem ID7507
Molweight114.188
LogP1.6
Atoms22
Bonds22
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene

Compound Details

Synonymous names
NSMRKFBAPAOVQL-FLIBITNWSA-N
AC1NSGOJ
Humulen-(v1)
CHEBI:88638
4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-3-ene #
(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene
1R,3Z,9s-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-3-ene
IUPAC name(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene
SMILESCC1=CCC2C(CC2(C)C)C(=C)CCC1
InchiInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h8,13-14H,2,5-7,9-10H2,1,3-4H3/b11-8-
FormulaC15H24
PubChem ID5362885
Molweight204.357
LogP4.52
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene

Mass-Spectra

Compound Details

Synonymous names
Isoledene
NUQDPKOFUKFKFD-UHFFFAOYSA-N
AC1LB6PI
CTK6C0657
PL001069
(-)-Isoledene
1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene
1,1,2,5-TETRAMETHYL-1H,1AH,2H,3H,4H,5H,6H,7H,7AH-CYCLOPROPA[E]AZULENE
1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene
1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene #
(1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene
IUPAC name1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene
SMILESCC1CCC2C(C2(C)C)C3=C1CCC3C
InchiInChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-10,12,14H,5-8H2,1-4H3
FormulaC15H24
PubChem ID530426
Molweight204.357
LogP4.04
Atoms39
Bonds41
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes


(Z)-octadec-9-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
Oleylalcohol
Dermaffine
Octadecenol
ALSTYHKOOCGGFT-KTKRTIGZSA-N
Lancol
Ocenol
Novol
Oceol
Oleic alcohol
Oleol
Oleoyl alcohol
OLEYL ALCOHOL
Olive alcohol
Satol
Oleo alcohol
Crodacol-O
HD-Eutanol
Loxanol M
Siponol OC
0leyl alcohol
9-Octadecenol
AC1NR4KM
Atalco O
Conditioner 1
Oleyl alcohol, analytical standard
Sipol O
cis-9-octadecenol
cis-9-Octadecenyl alcohol
HD oleyl alcohol CG
HD-Ocenol K
Octadec-9Z-enol
Unjecol 90N
Unjecol 90NR
Witcohol 85
Witcohol 90
Loxanol 95
SCHEMBL5668
Unjecol 50
Unjecol 70
Unjecol 90
Adol 34
Adol 80
Adol 85
Adol 90
Cachalot O-1
Cachalot O-3
Cachalot O-8
7025AA
C18H36O
cis-octadecen-1-ol
Unjecol 110
172F2WN8DV
Adol 320
Adol 330
Adol 340
Cachalot O-15
Crodacol A.10
H.D. eutanol
O0058
cis-.DELTA.9-Octadecenol
NSC10999
Oleyl alcohol (NF)
(Z)-oleyl alcohol
9Z-Octadecen-1-ol
D05245
HSDB 6484
UNII-172F2WN8DV
9-Octadecen-1-ol
AK114224
CHEMBL2105350
DTXSID0022010
LP074259
(Z)-9-octadecenol
CHEBI:73504
DSSTox_CID_2010
Oleyl alcohol, United States Pharmacopeia (USP) Reference Standard
ZINC8214634
AN-23262
AX8146171
CC-33316
cis-9-Octadecen-1-ol
DSSTox_GSID_22010
LS-97766
NSC 10999
NSC-10999
SC-19456
DSSTox_RID_76459
LMFA05000213
MFCD00002993
AI3-07620
DB-007794
KB-212151
Octadec-9-en-1-ol
Oleyl alcohol, technical grade, 85%
ST51056619
Witcohol 85 (TN)
Z-9-Dodecen-1-ol
( Z)-9-octadecenol
(Z)-Octadec-9-enol
AKOS004910411
cis-9-0ctadecen-1-ol
HD-Ocenol 90/95
W-109512
FT-0081274
HD oleyl alcohol 70/75
HD oleyl alcohol 80/85
HD oleyl alcohol 90/95
Octadeca-9-cis-en-1-ol
(9Z)-octadecen-1-ol
Tox21_200111
143-28-2
HD-Ocenol 90/95 V
Oleyl alcohol, >=99% (GC)
9-Octadecen-1-ol, cis-
(Z)-9-Octadecen-1-ol
8014-60-6
8029-00-3
8038-59-3
NCGC00164365-01
NCGC00164365-02
NCGC00257665-01
CAS-143-28-2
EINECS 205-597-3
(9Z)-9-Octadecen-1-ol
84286-21-5
Oleyl alcohol, technical, ~60% (GC)
(Z)-octadec-9-en-1-ol
(Z)-octadeca-9-en-1-ol
(9Z)-9-Octadecen-1-ol #
(9Z)-octadec-9-en-1-ol
9-Octadecen-1-ol, (Z)-
9-Octadecen-1-ol, (9Z)-
Octadec-9-en-1-ol, (Z)-
Oleyl alcohol, technical, 80-85% 100g
3164D881-7E14-4979-9E60-58DDC0468323
IUPAC name(Z)-octadec-9-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCO
InchiInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-
FormulaC18H36O
PubChem ID5284499
Molweight268.485
LogP6.67
Atoms55
Bonds54
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols alkenes

mVOC Specific Details

Boiling Point
DegreeReference
195 deg C at 8 mm Hg; 182-184 deg C at 1.5 mm Hg (Distilling range at 760 mm Hg: 305-370 deg C)O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1222
Volatilization
The Henry's Law constant for oleyl alcohol is estimated as 4.6X10-4 atm-cu m/mole using a fragment constant estimation method(1). This Henry's Law constant indicates that oleyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life of oleyl alcohol from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 8 hrs(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 7.4 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 163 days if adsorption is considered(3). Oleyl alcohol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Oleyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.3X10-5 mm Hg(SRC), determined from a fragment constant method(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Aldrich; Catalog Handbook of Fine Chemicals Milwaukee, WI: Aldrich Chem Co (1990) (5) Windholz M et al; The Merck Index 10th ed. Rahway, NJ: Merck & Co Inc (1983) (6) Jurgen F et al; A1: 279-303 in Ullmann's Encycl of Indust Chem NY: VCH Publishers (1985) (4) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)
Solubility
Insol in water; sol in alcohol, ether
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1222
Literature: #Slightly soluble in carbon tetrachloride
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V4: 3697
Literature: #In water, 7.0X10-2 mg/L at 25 deg C (est)
Literature: SRC; The Physical Properties Database (PHYSPROP). Syracuse, NY: Syracuse Res Corp. Available from, as of Apr 12, 2006: http://www.syrres.com/esc/physprop.htm
Literature: #4.71e-05 g/l
Literature: ALOGPS
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of oleyl alcohol can be estimated to be 1.3X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that oleyl alcohol is expected to be immobile 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
9.3X10-5 mm Hg at 25 deg C (est)SRC; The Physical Properties Database (PHYSPROP). Syracuse, NY: Syracuse Res Corp. Available from, as of Apr 12, 2006: http://www.syrres.com/esc/physprop.htm
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


8,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-ol

Compound Details

Synonymous names
CCVSBVCHUQDBJP-UHFFFAOYSA-N
AC1LCCLF
8,8a-dimethyldecahydronaphthalen-1-ol
CTK6C1839
8,8a-Dimethyldecahydro-1-naphthalenol #
trans-1,10-Dimethyl-trans-9-decalinol
8,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-ol
IUPAC name8,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-ol
SMILESCC1CCCC2C1(C(CCC2)O)C
InchiInChI=1S/C12H22O/c1-9-5-3-6-10-7-4-8-11(13)12(9,10)2/h9-11,13H,3-8H2,1-2H3
FormulaC12H22O
PubChem ID574354
Molweight182.307
LogP3.02
Atoms35
Bonds36
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


1,2,3-trimethylbenzene

Mass-Spectra

Compound Details

Synonymous names
Trimethylbenzene
Methylxylene
Hemimellitol
Hemimellitine
Hemimellitene
Hemellitol
Trimethyl benzene
Hemimellitol, Hemimelithol
FYGHSUNMUKGBRK-UHFFFAOYSA-N
AC1L1VQE
Trimethylbenzene (all isomers)
ZK4R7UPH6R
1,3-Trimethylbenzene
Benzene, trimethyl-
UNII-ZK4R7UPH6R
ACMC-1AZ9L
Trimethyl benzene (mixed isomers)
NSC5167
CTK1A2038
X6071
NSC65599
BIDD:ER0517
HSDB 7551
HSDB 6830
1,2,3-TrimethyIbenzene
C14518
1,2,3-TRIMETHYLBENZENE
CCRIS 8145
NSC 5167
NSC-5167
OR000443
OR248912
SBB061131
DTXSID8047769
Hemimellitene, 90.5%
CHEMBL1797279
AK113789
ZINC1680739
Y-9936
CHEBI:34037
Benzene,2,3-trimethyl-
A829196
LS-32254
DSSTox_GSID_47769
LS-32255
AN-17784
NSC-65599
AJ-29633
SC-80528
ST2414734
TRA0050735
1,2,3-Trimethylbenzene, analytical standard
AN-23528
ANW-75634
KB-09982
1,2,3-TRIMETHYL BENZENE
UNII-A3F3279Q14 component FYGHSUNMUKGBRK-UHFFFAOYSA-N
MFCD00008520
DSSTox_CID_27750
1,2,3-trimethyl-benzene
Benzene, trimethyl- (mixed isomers)
ZINC01680739
TR-018671
ST51047188
RTR-018671
W-105806
S01-0446
AKOS009031505
BRN 1903410
FT-0606232
Benzene,1,2,3-trimethyl-
Z955123778
Tox21_303868
WLN: 1R B1 C1
526-73-8
3B1-005888
Benzene, 1,2,3-trimethyl-
1,3-Trimethylbenzene, 90.5%
NCGC00357131-01
MCULE-1130443786
EINECS 208-394-8
CAS-526-73-8
EINECS 247-099-9
25551-13-7
1,2,3-Trimethylbenzene, technical grade, 90%
MolPort-001-781-731
1,2,3-Trimethylbenzene, 90.5%
4-05-00-01007 (Beilstein Handbook Reference)
InChI=1/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H
IUPAC name1,2,3-trimethylbenzene
SMILESCC1=C(C(=CC=C1)C)C
InchiInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
FormulaC9H12
PubChem ID10686
Molweight120.195
LogP3.51
Atoms21
Bonds21
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationBenzenoids alkylbenzenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 1,2,3-trimethylbenzene is 4.36X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 1,2,3-trimethylbenzene is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.4 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 4.4 days(SRC). 1,2,3-Trimethylbenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,2,3-Trimethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.69 mm Hg(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55:1054-62 (1982) (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; IN: Handbook of Vapor Pressure V3 C8-C28 Compounds p. 124 (1994)
Soil Adsorption
1,2,3-Trimethylbenzene has measured log Koc values of 3.04(1) and 2.80(2-5). These values correspond to Koc values of 1,096 and 630. 1,2,3-Trimethylbenzene also has a reported log Kom value of 2.80(6-7). According to a classification scheme(8), these Koc values suggest that 1,2,3-trimethylbenzene is expected to have low mobility in soil(SRC).
Literature: (1) Borisover MD, Graber ER; Chemosphere 34: 1761-76 (1997) (2) Gao C et al; Environ Toxicol Chem 15: 1089-96 (1996) (3) Park JH, Lee HJ; Chemosphere 26: 1905-16 (1993) (4) Sabljic A et al; Chemosphere 31: 4489-514 (1995) (5) Xu F et al; J Environ Qual 30: 1618-23 (2001) (6) Okouchi S, Saegusa H; Bull Chem Soc Jpn 62: 922-4 (1989) (7) Sabljic A; Environ Sci Technol 21: 358-66 (1987) (8) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.69 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co p. 124 (1994)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno


2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

Mass-Spectra

Compound Details

Synonymous names
Safranal
SGAWOGXMMPSZPB-UHFFFAOYSA-
SGAWOGXMMPSZPB-UHFFFAOYSA-N
Dehydro-beta-cyclocitral
Safranal;
AC1Q2EVK
AC1Q6BK7
AC1L1UF0
SCHEMBL23561
CTK7H7827
VZ22271
Safranal, >=90%, stabilized
C17062
4393FR07EA
AT-2733
CHEMBL3183495
AK400488
EBD956040
DTXSID7049398
LS-3133
OR023196
OR206300
A803586
CHEBI:53169
UNII-4393FR07EA
ZINC1851022
DSSTox_GSID_49398
CJ-30568
CC-06928
FCH1119840
KB-16884
AN-22757
C-02865
DSSTox_RID_83473
DSSTox_CID_29357
DB-019750
J-003414
AKOS022504707
2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde
FEMA No. 3389
FT-0631664
2,6,6-Trimethylcyclohexa-1,3-dienylmethanal
Tox21_202723
2.2.6-Trimethyl-I'4.6-dihydrobenzaldehyd
116-26-7
2,3-Dihydro-2,2,6-trimethylbenzaldehyde
2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;
2,6,6-Trimethylcyclohexa-1,3-dienyl methanal
2,6,6-Trimethyl-1,3-cyclohexadienal
NCGC00260271-01
CAS-116-26-7
EINECS 204-133-7
2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde
2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;
2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;
2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde
(2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal
2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
3,4-didehydro-7-apo-b-caroten-7-al
2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #
1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-
1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene
2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;
1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-
InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
IUPAC name2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=C(C(CC=C1)(C)C)C=O
InchiInChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
FormulaC10H14O
PubChem ID61041
Molweight150.221
LogP2.05
Atoms25
Bonds25
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones terpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


4,7,7-trimethylbicyclo[2.2.1]hept-2-en-5-ol

Compound Details

Synonymous names
ZJPQCBPMMANSBE-UHFFFAOYSA-N
AC1LCAAA
CTK3I1333
OR371320
DTXSID30341377
91055-72-0
1,7,7-Trimethylbicyclo[2.2.1]hept-5-en-2-ol
4,7,7-trimethylbicyclo[2.2.1]hept-2-en-5-ol
Bicyclo[2.2.1]hept-5-en-2-ol, 1,7,7-trimethyl-
IUPAC name4,7,7-trimethylbicyclo[2.2.1]hept-2-en-5-ol
SMILESCC1(C2CC(C1(C=C2)C)O)C
InchiInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h4-5,7-8,11H,6H2,1-3H3
FormulaC10H16O
PubChem ID572663
Molweight152.237
LogP1.63
Atoms27
Bonds28
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols terpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

Mass-Spectra

Compound Details

Synonymous names
Epiglobulol
Globulol
AYXPYQRXGNDJFU-UHFFFAOYSA-N
10-Hydroxyaromadendrane
Ledol
AC1L2REK
AC1Q7AU1
STK080767
SCHEMBL2196679
OR009123
NSC152470
NSC-152470
AKOS021610575
AKOS001581316
MCULE-4138183274
MolPort-002-942-445
(.+/-.)-Globulol
AE-641/32254038
1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol
1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4-ol
1h-cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-
1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol, (1a.alpha.,4.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)-
IUPAC name1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
SMILESCC1CCC2C1C3C(C3(C)C)CCC2(C)O
InchiInChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3
FormulaC15H26O
PubChem ID101716
Molweight222.372
LogP3.18
Atoms42
Bonds44
H-bond Acceptor1
H-bond Donor1
Chemical Classificationterpenes alcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-5-ol

Compound Details

Synonymous names
camphenol
CFXJOMGPUADAJE-UHFFFAOYSA-N
6-Hydroxycamphene
AC1LB1C4
camphen-6-ol
Camphenol, 6-
OR282758
SCHEMBL10494086
3570-04-5
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-5-ol
5,5-Dimethyl-6-methylenebicyclo[2.2.1]heptan-2-ol
5,5-Dimethyl-6-methylenebicyclo[2.2.1]heptan-2-ol #
BICYCLO[2.2.1]HEPTAN-2-OL, 5,5-DIMETHYL-6-METHYLENE-, EXO-
IUPAC name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-5-ol
SMILESCC1(C2CC(C1=C)C(C2)O)C
InchiInChI=1S/C10H16O/c1-6-8-4-7(5-9(8)11)10(6,2)3/h7-9,11H,1,4-5H2,2-3H3
FormulaC10H16O
PubChem ID526611
Molweight152.237
LogP1.55
Atoms27
Bonds28
H-bond Acceptor1
H-bond Donor1
Chemical Classificationterpenes alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno


Compound Details

Synonymous names
YULHLOUAHSEHLD-UHFFFAOYSA-N
AC1LBIJ6
Cedrane-8,13-diol #
Cedran-diol, 8S,13-
IUPAC name
SMILESCC1CCC2C13CCC(C(C3)C2(C)CO)(C)O
InchiInChI=1S/C15H26O2/c1-10-4-5-11-13(2,9-16)12-8-15(10,11)7-6-14(12,3)17/h10-12,16-17H,4-9H2,1-3H3
FormulaC15H26O2
PubChem ID536384
Molweight238.371
LogP1.91
Atoms43
Bonds45
H-bond Acceptor2
H-bond Donor2
Chemical Classificationterpenes alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Alboflavus TD-1Inhibitory activity on the mycelia growth of Fusarium. moniliformesoil surroundig a granaryWang et al., ‎2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause’s synthetic mediumHeadspace, solid-phase microextractionno