Results for:
Species: Bacillus polymyxa

Benzaldehyde

Mass-Spectra

Compound Details

Synonymous names
benzaldehyde
100-52-7
Benzoic aldehyde
Phenylmethanal
Benzenecarboxaldehyde
Benzenecarbonal
Benzenemethylal
Benzaldehyde FFC
Benzene carbaldehyde
Benzene carboxaldehyde
benzanoaldehyde
Benzylaldehyde
Benzoyl hydride
NCI-C56133
Benzoic acid aldehyde
FEMA No. 2127
Caswell No. 076
Phenylformaldehyde
Benzaldehyde (natural)
NSC 7917
Benzadehyde
Benzyaldehyde
CCRIS 2376
HSDB 388
NSC-7917
EINECS 202-860-4
UNII-TA269SD04T
Benzaldehyde-carbonyl-13C
Benzaldehyde [NF]
EPA Pesticide Chemical Code 008601
Benzaldehyde-formyl-d
TA269SD04T
Benzaldehyde-alpha-d1
DTXSID8039241
CHEBI:17169
AI3-09931
MFCD00003299
8013-76-1
Benzaldehyde, methyl-
CHEMBL15972
DTXCID90134
NSC7917
EC 202-860-4
Phenylmethanal benzenecarboxaldehyde
Benzaldehyde (NF)
NCGC00091819-01
NCGC00091819-02
BENZALDEHYDE (II)
BENZALDEHYDE [II]
BENZALDEHYDE (MART.)
BENZALDEHYDE [MART.]
benzaldehyd
Benzaldhyde
BENZALDEHYDE (USP IMPURITY)
BENZALDEHYDE [USP IMPURITY]
BDBM50139371
CAS-100-52-7
FENTANYL IMPURITY E (EP IMPURITY)
FENTANYL IMPURITY E [EP IMPURITY]
TRIBENOSIDE IMPURITY C (EP IMPURITY)
TRIBENOSIDE IMPURITY C [EP IMPURITY]
BENZYL ALCOHOL IMPURITY A (EP IMPURITY)
BENZYL ALCOHOL IMPURITY A [EP IMPURITY]
FENTANYL CITRATE IMPURITY E (EP IMPURITY)
FENTANYL CITRATE IMPURITY E [EP IMPURITY]
AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)
AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]
UN1990
BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)
BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]
GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)
GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]
HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)
HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]
benzaidehyde
benzaldehvde
benzaldehye
benzaldeyde
BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)
BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]
C7H6O
phenyl-methanone
Benzene methylal
Aromatic aldehyde
Benzoylwasserstoff
(phenyl)methanone
benzenecarbaldehyde
Benzaldehyde,(S)
PhCHO
Benzene carcaboxaldehyde
2vj1
WLN: VHR
BENZALDEHYDE [MI]
SCHEMBL573
BENZALDEHYDE [FCC]
BENZALDEHYDE [FHFI]
BENZALDEHYDE [HSDB]
BENZALDEHYDE [INCI]
BENZALDEHYDE [VANDF]
ghl.PD_Mitscher_leg0.170
BENZALDEHYDE [USP-RS]
Benzaldehyde, AR, >=99%
Benzaldehyde, LR, >=99%
BIDD:ER0249
BDBM60953
Benzaldehyde, analytical standard
Ald3-H_000012
Benzaldehyde, >=98%, FG, FCC
Ald3.1-H_000160
Ald3.1-H_000479
Ald3.1-H_000798
Tox21_113069
Tox21_113244
Tox21_200634
s5574
STL194067
Benzaldehyde, for synthesis, 95.0%
AKOS000119172
Benzaldehyde [UN1990] [Class 9]
CCG-266041
MCULE-7744113682
NA 1989
Benzaldehyde, purum, >=98.0% (GC)
Benzaldehyde, ReagentPlus(R), >=99%
NCGC00091819-03
NCGC00258188-01
PS-11959
Benzaldehyde, natural, >=98%, FCC, FG
DB-023673
B2379
Benzaldehyde, SAJ special grade, >=98.0%
NS00008510
Benzaldehyde, Vetec(TM) reagent grade, 98%
Benzaldehyde 1000 microg/mL in Dichloromethane
Benzaldehyde 2000 microg/mL in Dichloromethane
Benzaldehyde, puriss. p.a., >=99.0% (GC)
C00193
C00261
D02314
A800226
Q372524
SR-01000944375
Benzaldehyde, purified by redistillation, >=99.5%
SR-01000944375-1
F1294-0144
Flavor and Extract Manufacturers' Association No. 2127
InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6
Benzaldehyde, European Pharmacopoeia (EP) Reference Standard
Benzaldehyde, United States Pharmacopeia (USP) Reference Standard
Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namebenzaldehyde
SMILESC1=CC=C(C=C1)C=O
InchiInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
FormulaC7H6O
PubChem ID240
Molweight106.12
LogP1.5
Atoms8
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes
CHEBI-ID17169
Supernatural-IDSN0135798

mVOC Specific Details

Boiling Point
DegreeReference
178.7 °C peer reviewed
Volatilization
The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde 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 1.5 days (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.27 mm Hg at 25 deg CAmbrose D et al; J Chem Therm 7: 1143-57 (1975)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAAhmed et al. 2023
ProkaryotaEscherichia ColiNANAHewett et al. 2020
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAMellors et al. 2018
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
EukaryotaAgaricus EssetteiNARapior et al. 2002
EukaryotaCandida AlbicansNAKarami et al. 2017
ProkaryotaEscherichia ColiNAKarami et al. 2017
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
ProkaryotaBacillus SubtilisNAGao et al. 2018
EukaryotaFusarium CulmorumNASchmidt et al. 2018
EukaryotaHypoxylon InvadensNADickschat et al. 2018
EukaryotaFusarium Acuminatumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaFusarium Oxysporumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaPolyporus TuberasterNAKawabe et al. 1994
ProkaryotaBacillus Subtilisantibacterial activity against growth of Ralstonia solanacearumPlant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New DelhiKashyap et al. 2022
ProkaryotaPseudomonas Fluorescensantibacterial activity against growth of Ralstonia solanacearumPlant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New DelhiKashyap et al. 2022
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaBacillus Amyloliquefacienscommercial strainHeenan-Daly et al. 2021
ProkaryotaBacillus Toyonensisstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Myotisisolate from Irish potato soilsHeenan-Daly et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
ProkaryotaStenotrophomonas Maltophiliaantifungal activity against Colletotrichum nymphaeaeisolated from the healthy strawberry leaf in Kamyaran, Kurdistan provinceAlijani et al. 2020
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 101NACalvo et al. 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
ProkaryotaLactobacillus Plantarumn/aNASchulz and Dickschat 2007
ProkaryotaPseudomonas Fluorescensn/aNAFernando et al. 2005
ProkaryotaPseudomonas Corrugatan/aNAFernando et al. 2005
ProkaryotaPseudomonas Chlororaphisn/aNAFernando et al. 2005
ProkaryotaPseudomonas Aurantiacan/aNAFernando et al. 2005
ProkaryotaBacillus Sp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaArthrobacter NitroguajacolicusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaOctadecabacter Sp.n/aNADickschat et al. 2005_3
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaLactobacillus Casein/aNATracey and Britz 1989
ProkaryotaLactobacillus Plantarumn/aNATracey and Britz 1989
ProkaryotaPediococcus Damnosusn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Cremorisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Dextranicumn/aNATracey and Britz 1989
ProkaryotaLactococcus Lactisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Mesenteroidesn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Paramesenteroidesn/aNATracey and Britz 1989
ProkaryotaOenococcus Oenin/aNATracey and Britz 1989
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaBjerkandera Adustan/aNALapadatescu et al. 2000
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
ProkaryotaBurkholderia Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaPaenibacillus Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaBacillus AmyloliquefaciensAgriculture University of Nanjing, ChinaTahir et al. 2017
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
EukaryotaPleurotus OstreatusNABeltran-Garcia et al. 1997
EukaryotaFomes FomentariusNAFäldt et al. 1999
EukaryotaPenicillium Sp.NATakeuchi et al. 2012
EukaryotaFusarium Sp.NATakeuchi et al. 2012
EukaryotaBotrytis Sp.NAKikuchi et al. 1983
EukaryotaAspergillus Sp.NATakeuchi et al. 2012
ProkaryotaThermomonospora FuscanasoilWilkins 1996
ProkaryotaPseudomonas Fluorescenspromotes volatile oil accumulation, activating plant defensefrom geo-authentic Atractylodes lanceaZhou et al. 2016
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Jesseniinaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaLactobacillus HelveticusnayoghurtPogačić et al. 2016
ProkaryotaPedobacter Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaChryseobacterium Sp.nanaTyc et al. 2015
ProkaryotaTsukamurella Sp.nanaTyc et al. 2015
ProkaryotaJanthinobacterium Sp.nanaTyc et al. 2015
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaFomitopsis PinicolanaGermanyRösecke et al. 2000
EukaryotaTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al. 2000
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaHaemophilus InfluenzaeclinicPreti et al. 2009
ProkaryotaBranhamella CatarrhalisclinicPreti et al. 2009
EukaryotaBjerkandera AdustaNASpinnler at al. 1994
EukaryotaTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber IndicumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPseudomonas SegetisNANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaLactiplantibacillus PlantarumChen et al. 2023
ProkaryotaBacillus ThuringiensisKoilybayeva et al. 2023
ProkaryotaBacillus AcidiproducensKoilybayeva et al. 2023
ProkaryotaBacillus CereusKoilybayeva et al. 2023
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
ProkaryotaLactobacillus PlantarumMa et al. 2023
ProkaryotaCitrobacter FreundiiTallon et al. 2023
ProkaryotaEnterobacter AgglomeransTallon et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
EukaryotaSaccharomyces CerevisiaePeng et al. 2023
ProkaryotaStaphylococcus AureusWang et al. 2023
ProkaryotaPediococcus AcidilacticiMockus et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiNBTD/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaStreptococcus PneumoniaeModified Lacks MediaSPME/GCxGC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
EukaryotaAgaricus Essetteihydro-destillation, solvent extraction, GC-MSno
EukaryotaCandida AlbicansMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaEscherichia ColiMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaBacillus SubtilisLuria-Bertani (LB) agarHS / SPME / GC-MSno
EukaryotaFusarium CulmorumKing`s B agarUPLC-MSno
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSyes
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSyes
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSyes
EukaryotaPolyporus TuberasterPGYGC-MSno
ProkaryotaBacillus SubtilisLB agarGC-MSno
ProkaryotaPseudomonas FluorescensLB agarGC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSyes
ProkaryotaBacillus AmyloliquefaciensTSB mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia MyotisTSB mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
ProkaryotaStenotrophomonas MaltophiliaNA mediaGC-MSno
ProkaryotaBacillus VelezensisMOLP mediaSPME/GC-MSyes
ProkaryotaStaphylococcus EpidermidisMHB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPseudomonas Fluorescensn/an/ano
ProkaryotaPseudomonas Corrugatan/an/ano
ProkaryotaPseudomonas Chlororaphisn/an/ano
ProkaryotaPseudomonas Aurantiacan/an/ano
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaArthrobacter Nitroguajacolicusn/an/ano
ProkaryotaLysobacter Gummosusn/an/ano
ProkaryotaSporosarcina Ginsengisolin/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaOctadecabacter Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaLactobacillus Casein/an/ano
ProkaryotaPediococcus Damnosusn/an/ano
ProkaryotaLeuconostoc Cremorisn/an/ano
ProkaryotaLeuconostoc Dextranicumn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/an/ano
EukaryotaBjerkandera AdustaMinimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.no
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
EukaryotaTrichoderma VirideMalt extractGC/MSno
ProkaryotaBurkholderia Sp.TSBAGC-Q-TOFno
ProkaryotaPaenibacillus Sp.TSBAGC-Q-TOFno
ProkaryotaBacillus AmyloliquefaciensLBSPME-GC-MSno
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
EukaryotaPleurotus Ostreatusno
EukaryotaFomes Fomentariusno
EukaryotaPenicillium Sp.no
EukaryotaFusarium Sp.no
EukaryotaBotrytis Sp.no
EukaryotaAspergillus Sp.no
ProkaryotaThermomonospora FuscaNutrient agar CM3GC/MSno
ProkaryotaPseudomonas FluorescensMS rooting agarGC/MS + comparison to NISTno
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
ProkaryotaLactobacillus Helveticuscurd-based broth mediumGC/MSyes
ProkaryotaPedobacter Sp.sand containing artificial root exudatesGC/MSno
ProkaryotaChryseobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaTsukamurella Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaJanthinobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
EukaryotaPiptoporus BetulinusnaGC/MSno
EukaryotaFomitopsis PinicolanaGC/MSno
EukaryotaTrametes SuaveolensnaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaBranhamella CatarrhalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaBjerkandera Adustano
EukaryotaTuber MelanosporumNoneNoneyes
EukaryotaTuber IndicumNoneNoneyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaStaphylococcus EquorumMOLPHS-SPME-GC/MSno
ProkaryotaStaphylococcus EquorumSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Atrophaeustryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
EukaryotaWickerhamomyces Anomalusmedium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)SPME with GC-MSno
EukaryotaWickerhamomyces Anomalussolid-state fermentation starter culture DaquSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
ProkaryotaBacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaLactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno
ProkaryotaCitrobacter Freundiitryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaEnterobacter Agglomeranstryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaTenax/GC/MSno
EukaryotaSaccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno
ProkaryotaPediococcus Acidilacticilentils (Lens culinaris)SPME/ICP-MSno


2-methyl-5-propan-2-ylpyrazine

Compound Details

Synonymous names
2-Isopropyl-5-methylpyrazine
13925-05-8
2-Methyl-5-(1-methylethyl)pyrazine
Pyrazine, 2-methyl-5-(1-methylethyl)-
2-methyl-5-propan-2-ylpyrazine
2-Methyl-5-isopropylpyrazine
5-Isopropyl-2-methylpyrazine
2-methyl-5-isopropyl pyrazine
Pyrazine, 2-isopropyl-5-methyl-
FEMA No. 3554
818RIW504V
2-methyl-5-(propan-2-yl)pyrazine
UNII-818RIW504V
2-Methyl-5-i-propylpyrazin
SCHEMBL179362
2-isopropyl-5-methyl-pyrazine
DTXSID7065677
FEMA 3554
CHEBI:193643
2-Methyl-5-(1-methylethyl)-Pyrazine
AKOS006326657
AS-59519
2-Methyl-5-(1-methylethyl)pyrazine, 9CI
DB-116848
5-ISOPROPYL-2-METHYLPYRAZINE [FHFI]
CS-0059950
NS00124338
W18369
A922235
Q27269228
Microorganism:

Yes

IUPAC name2-methyl-5-propan-2-ylpyrazine
SMILESCC1=CN=C(C=N1)C(C)C
InchiInChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
FormulaC8H12N2
PubChem ID61700
Molweight136.19
LogP1.3
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds heterocyclic compounds pyrazines nitrogen compounds
CHEBI-ID193643
Supernatural-IDSN0284993

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
ProkaryotaBacillus SubtilisZhang et al. 2021
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaPaenibacillus Polymyxan/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaKlebsiella Pneumoniaen/aNASchulz and Dickschat 2007
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphereGroenhagen et al. 2013
ProkaryotaSulfitobacter Pontiacusn/aNADickschat et al. 2005_6
ProkaryotaLoktanella Hongkongensisn/aNADickschat et al. 2005_6
ProkaryotaRoseobacter Gallaeciensisn/aNADickschat et al. 2005_6
ProkaryotaSulfitobacter Sp.n/aNADickschat et al. 2005_6
ProkaryotaStappia Marinan/aNADickschat et al. 2005_6
ProkaryotaDinoroseobacter Shibaen/aNADickschat et al. 2005_6
ProkaryotaJannaschia Helgolandensisn/aNADickschat et al. 2005_6
ProkaryotaOceanibulbus Indolifexn/aNADickschat et al. 2005_6
ProkaryotaChondromyces Crocatusn/aNADickschat et al. 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian FE supp.SPME/GC-MSno
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaLandy mediaHS-SPME/GC-MSno
ProkaryotaChondromyces Crocatusn/an/ano
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaPaenibacillus Polymyxan/an/ano
ProkaryotaKlebsiella Pneumoniaen/an/ano
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
ProkaryotaSulfitobacter Pontiacusn/an/ano
ProkaryotaLoktanella Hongkongensisn/an/ano
ProkaryotaRoseobacter Gallaeciensisn/an/ano
ProkaryotaSulfitobacter Sp.n/an/ano
ProkaryotaStappia Marinan/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaJannaschia Helgolandensisn/an/ano
ProkaryotaOceanibulbus Indolifexn/an/ano


2-methyl-3-propan-2-ylpyrazine

Compound Details

Synonymous names
2-Isopropyl-3-methylpyrazine
15986-81-9
2-Methyl-3-isopropylpyrazine
2-methyl-3-propan-2-ylpyrazine
Pyrazine, 2-methyl-3-(1-methylethyl)-
2-methyl-3-(propan-2-yl)pyrazine
3-Isopropyl-2-methylpyrazine
2-Isopropyl-3-methyl-pyrazine
CHEMBL275759
SCHEMBL2550967
SCHEMBL4729929
2-Isopropyl-3-methylpyrazine #
2-Methyl-3-iso-propyl pyrazine
Pyrazine, 2-methyl-3-isopropyl
DTXSID70333918
LNSYLBDZKBWDNL-UHFFFAOYSA-N
Pyrazine, 2-methyl-3-(1-methylethyl)
DB-314114
NS00113890
A851548
Q63409484
Microorganism:

Yes

IUPAC name2-methyl-3-propan-2-ylpyrazine
SMILESCC1=NC=CN=C1C(C)C
InchiInChI=1S/C8H12N2/c1-6(2)8-7(3)9-4-5-10-8/h4-6H,1-3H3
FormulaC8H12N2
PubChem ID519203
Molweight136.19
LogP1.3
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds pyrazines heterocyclic compounds

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaPaenibacillus PolymyxaLB media, TSA mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaLB media, TSA media, Landy mediaHS-SPME/GC-MSno


2,3-diethyl-5-methylpyrazine

Mass-Spectra

Compound Details

Synonymous names
2,3-DIETHYL-5-METHYLPYRAZINE
18138-04-0
Pyrazine, 2,3-diethyl-5-methyl-
2,3-Diethyl-6-methylpyrazine
2-Methyl-5,6-diethylpyrazine
5-Methyl-2,3-diethylpyrazine
FEMA No. 3336
2,3-diethyl-5-methyl-pyrazine
530763R0AP
hazelnut pyrazine
MLS000515960
UNII-530763R0AP
EINECS 242-024-6
SCHEMBL756047
CHEMBL1904383
DTXSID6066317
FEMA 3336
PSINWXIDJYEXLO-UHFFFAOYSA-
CHEBI:193685
HMS2269E08
METHYL-5,6-DIETHYLPYRAZINE
AMY23188
MFCD00009635
2,3-Diethyl-5-methylpyrazine, 99%
AKOS015838583
CS-W016320
MCULE-9640927466
NCGC00247002-01
AC-16405
AS-59328
SMR000112429
2,3-Diethyl-5-methylpyrazine, 99%, FG
DB-019730
D1714
NS00021776
2,3-DIETHYL-5-METHYLPYRAZINE [FHFI]
D81788
2,3-Diethyl-5-methylpyrazine, analytical standard
A812612
Q-100216
Q27261047
InChI=1/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3
Microorganism:

Yes

IUPAC name2,3-diethyl-5-methylpyrazine
SMILESCCC1=NC=C(N=C1CC)C
InchiInChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3
FormulaC9H14N2
PubChem ID28905
Molweight150.22
LogP1.9
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds pyrazines heterocyclic compounds
CHEBI-ID193685
Supernatural-IDSN0293902

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrianSPME/GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaPaenibacillus PolymyxaNA mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, TSA mediaHS-SPME/GC-MSno


2,6-ditert-butyl-4-methylphenol

Mass-Spectra

Compound Details

Synonymous names
2,6-Di-tert-butyl-4-methylphenol
128-37-0
Butylhydroxytoluene
2,6-Di-tert-butyl-p-cresol
2,6-Di-t-butyl-4-methylphenol
Ionol
DBPC
Stavox
BHT
Impruvol
Ionol CP
Dalpac
Deenax
Dibunol
Ionole
Kerabit
Topanol
Vianol
Antioxidant KB
Antioxidant 4K
Sumilizer BHT
Topanol O
Topanol OC
Vanlube PC
Antioxidant 29
Antioxidant 30
Antioxidant DBPC
Sustane BHT
Tenamene 3
Vanlube PCX
Nonox TBC
Tenox BHT
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
Chemanox 11
Agidol
Catalin CAO-3
Ionol 1
Advastab 401
3,5-Di-tert-butyl-4-hydroxytoluene
BUKS
Parabar 441
2,6-ditert-butyl-4-methylphenol
Antrancine 8
Vulkanox KB
Catalin antioxydant 1
2,6-Di-tert-butyl-4-cresol
Ionol (antioxidant)
Paranox 441
2,6-Bis(1,1-dimethylethyl)-4-methylphenol
Antioxidant MPJ
Antioxidant 4
Alkofen BP
AO 4K
CAO 1
CAO 3
Di-tert-butyl-p-cresol
Di-tert-butyl-p-methylphenol
Swanox BHT
Antox QT
Tenamen 3
Agidol 1
Antioxidant 264
Bht (food grade)
o-Di-tert-butyl-p-methylphenol
Antioxidant T 501
Ional
Nocrac 200
AO 29
NCI-C03598
2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene
2,6-Di-tert-butyl-p-methylphenol
2,6-Di-terc.butyl-p-kresol
Dbpc (technical grade)
4-Hydroxy-3,5-di-tert-butyltoluene
FEMA No. 2184
4-Methyl-2,6-tert-butylphenol
Butylhydroxytoluenum
Di-tert-butylcresol
AOX 4K
Dibutylhydroxytoluene
2,6-ditert-butyl-4-methyl-phenol
Ionol CP-antioxidant
P 21
2,6-DI-T-BUTYL-P-CRESOL
4-Methyl-2,6-di-tert-butylphenol
AOX 4
Butyl hydroxy toluene
CCRIS 103
Popol
HSDB 1147
BHT 264
Bht(food grade)
NSC 6347
NSC-6347
4-Methyl-2,6-di-terc. butylfenol
EINECS 204-881-4
Ionol BHT
Ralox BHT
2,6-Di-tert-butyl-4-hydroxytoluene
2,6-Di-tert-butyl-4-methyl-phenol
1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene
MFCD00011644
2,6-ditertiary-butyl-p-cresol
Dbpc(technical grade)
DTXSID2020216
E321
CHEBI:34247
2,6-Di-tert-butyl-4-methylhydroxybenzene
AI3-19683
p-Cresol, 2,6-di-tert-butyl-
INS-321
1P9D0Z171K
2,6-bis(tert-butyl)-4-methylphenol
2,6-Di-tert-butylcresol
CHEMBL146
Di-tert-Butyl-4-methylphenol
DTXCID20216
INS NO.321
E-321
FEMA 2184
NSC6347
2,6-di-tert-butyl-4-methyl phenol
NCGC00091761-03
Tonarol
Toxolan P
Caswell No. 291A
2,6-DI(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5,O-D3
Annulex BHT
BUTYLHYDROXYTOLUENE (EP MONOGRAPH)
BUTYLHYDROXYTOLUENE [EP MONOGRAPH]
CAS-128-37-0
Butylohydroksytoluenu
Butylohydroksytoluenu [Polish]
Di-tert-butyl-p-cresol (VAN)
di-tert-butyl-methylphenol
Di tert butyl methylphenol
2,6-Di-terc.butyl-p-kresol [Czech]
EPA Pesticide Chemical Code 022105
2,6 Di tert butyl p cresol
UNII-1P9D0Z171K
4-Methyl-2,6-di-terc. butylfenol [Czech]
2,6 Di t butyl 4 methylphenol
Lowinox BHT
Nipanox BHT
BHT Swanox
BHT, food grade
4-Methyl-2,6-di-t-butyl-phenol
2, food grade
2,6 Di tert butyl 4 methylphenol
3IM
Dibutyl-para-cresol
NAUGARD BHT
PERMANAX BHT
TOPANOL BHT
YOSHINOX BHT
ANTAGE BHT
TOPANOL OL
VANOX PC
IONOL K
Spectrum_001790
BHT FCC/NF
SpecPlus_000768
CATALIN CAO 3
Methyldi-tert-butylphenol
Spectrum3_001849
Spectrum5_001612
BHT [INCI]
Hydagen DEO (Salt/Mix)
BHT [FCC]
LUBRIZOL 817
ULTRANOX 226
EC 204-881-4
2,6-di-Butyl-para-cresol
2.6-di-t-butyl-p-cresol
SCHEMBL3950
2,6-ditert-butyl-p-cresol
p-Cresol,6-di-tert-butyl-
Di-tert-Butylparamethylphenol
BSPBio_003238
KBioSS_002281
2,6-di-tert.butyl-p-cresol
IONOL 330
MLS000069425
BIDD:ER0031
DivK1c_006864
P 21 (PHENOL)
SPECTRUM1600716
2,6-bis-tert-butyl-p-cresol
2,6-di-tert-butyl-paracresol
2,6-di-tert-butylmethylphenol
2,6-di-tert. butyl-p-cresol
2,6-di-tert.-butyl-p-cresol
T 501 (PHENOL)
2,6-di-tert-butyl-para-cresol
2,6-di-tert-Butyl-methylphenol
2,6-ditertbutyl-4-methylphenol
2,6-di-t butyl-4-methylphenol
2.6-di-t-butyl-4-methylphenol
KBio1_001808
KBio2_002280
KBio2_004848
KBio2_007416
KBio3_002738
2,6-di-tert-butyl-4-methylenol
2,6-di-tert-butyl-4methylphenol
2,6-di-tert-butyl4-methylphenol
2,6-di-tertbutyl-4-methylphenol
2,6-ditert.butyl-4-methylphenol
BHT1506
2,6-Di(tert-butyl)hydroxytoluene
18 - Anti-oxidants in copra oil
2,6-di(t-butyl)-4-methylphenol
2,6-di-t- butyl-4-methylphenol
2,6-di-t-butyl 4-methyl phenol
2,6-di-t-butyl-4-methyl phenol
2,6-di-t-butyl-4-methyl-phenol
3,5-di-t-butyl-4-hydroxytoluene
HMS2091E21
HMS2231M22
HMS3369G17
HMS3750M21
Pharmakon1600-01600716
2,1-dimethylethyl)-4-methylphenol
2,6-di-tert-butyl 4-methylphenol
2,6-di-tert-butyl-4 methylphenol
2,6-di-tert-butyl4-methyl phenol
2,6-di-tert.butyl-4-methylphenol
2,6-ditert.-butyl-4-methylphenol
2.6-di-tert-butyl-4-methylphenol
4-methyl-2,6-di-tert.butylphenol
2,6-di-ter-butyl-4-methyl-phenol
2,6-Di-tert.-Butyl4-methylphenol
2,6-ditertiarybutyl-4-methylphenol
2.6-di- t-butyl- 4-methylphenol
AMY40200
HY-Y0172
STR04334
2,6 -di-tert-butyl-4-methylphenol
2,6-di(tert-butyl)-4-methylphenol
2,6-Di-tert-butyl-p-cresol, 8CI
2,6-di-tert.-butyl-4-methylphenol
Tox21_113537
Tox21_201093
Tox21_303408
2,6-di-tert-butyl-p-cresol (BHT)
2,6-Di-tert-butyl-para-methylphenol
BDBM50079507
NSC759563
s6202
STL277184
2,6-di-tert. butyl-4-methyl phenol
2,6-Di-(tert-butyl)-4-methylphenol
AKOS000269037
Tox21_113537_1
CCG-207937
CS-W020053
MCULE-4627478482
NSC-759563
2,6-TERT-BUTYL-4-METHYLPHENOL
Phenol, 2,6-di-tert-butyl-4-methyl-
NCGC00091761-01
NCGC00091761-02
NCGC00091761-04
NCGC00091761-05
NCGC00091761-06
NCGC00091761-07
NCGC00257275-01
NCGC00258645-01
AC-10553
SMR000059076
2,6-Di-tert-butyl-4-methylphenol (BHT)
2,6-Di-tert-butyl-4-methylphenol, 99%
BUTYLHYDROXYTOLUENUM [WHO-IP LATIN]
SBI-0052890.P002
4-HYDROXY-3,5-DI-T-BUTYL-TOLUENE
2,6-Di-tert-butyl-4-methylphenol, >=99%
D0228
NS00010740
Phenol,6-bis(1,1-dimethylethyl)-4-methyl-
T 501
2,6-bis-(1,1-dimethylethyl)-4-methylphenol
4-Methyl-2,6- di(1,1-dimethylethyl)phenol
4-METHYL-2,6-DITERTIARY-BUTYL-PHENOL
EN300-52982
PK04_181024
2,6-Di-tert-butyl-1-hydroxy-4-methyl benzene
D02413
D77866
MLS-0146297.0001
AB00053233_09
Phenol, 3,5-bis(1,1-dimethylethyl)-4-methyl-
2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI
2,6-Di-tert-butyl-4-methylphenol, puriss., 99%
A937188
AC-907/25014329
Q221945
SR-01000735918
SR-01000735918-2
W-108376
9FC4DFC8-480D-487C-A74A-2EC9EECE92C4
BENZENE,1,3-DITERT.BUTYL,2-HYDROXY,5-METHYL
BRD-K53153417-001-01-3
BRD-K53153417-001-06-2
F0001-0395
Z764922868
2,6-Di-tert-butyl-4-methylphenol, purum, >=99.0% (GC)
WLN: 1X1 & 1 & R BQ E1 CX1 & 1 & 1
2,6-Di-tert-butyl-4-methylphenol, >=99.0% (GC), powder
2,6-Di-tert-butyl-4-methylphenol, SAJ first grade, >=99.0%
2,6-Di-tert-butyl-4-methylphenol, tested according to Ph.Eur.
3,5-Di-tert-4-butylhydroxytoluene (BHT), analytical standard
2,6-Di-tert-butyl-4-methylphenol 1000 microg/mL in Acetonitrile
Butylhydroxytoluene, European Pharmacopoeia (EP) Reference Standard
2,6-Di-tert-butyl-4-methylphenol, certified reference material, TraceCERT(R)
2,6-DI-TERT-BUTYL-P-CRESOL2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYL-PHENOL
InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H
Microorganism:

Yes

IUPAC name2,6-ditert-butyl-4-methylphenol
SMILESCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InchiInChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
FormulaC15H24O
PubChem ID31404
Molweight220.35
LogP5.3
Atoms16
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds phenols benzenoids
CHEBI-ID34247
Supernatural-IDSN0249165

mVOC Specific Details

Boiling Point
DegreeReference
265 °C peer reviewed
Volatilization
The Henry's Law constant for 2,6-di-t-butyl-p-cresol is estimated as 2.5X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). 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 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 6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 120 days when adsorption is considered(3). 2,6-Di-t-butyl-p-cresol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2,6-Di-t-butyl-p-cresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.16X10-3 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw-Hill (1984) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,6-di-t-butyl-p-cresol can be estimated to be 1.5X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,6-di-t-butyl-p-cresol is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 3, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5.16X10-3 mm Hg at 25 deg CPerry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw-Hill (1984)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
EukaryotaGoffeauzyma Gilvescensinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaArthrobacter Agilisnarhizosphere of maize plantsVelázquez-Becerra et al. 2011
ProkaryotaShewanella Algaeinhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidiasea sediment in east China coastGong et al. 2015
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaChryseobacterium Sp.nanaTyc et al. 2015
ProkaryotaTsukamurella Sp.nanaTyc et al. 2015
ProkaryotaDyella Sp.nanaTyc et al. 2015
ProkaryotaJanthinobacterium Sp.nanaTyc et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
EukaryotaGoffeauzyma Gilvescensartificial nectar mediaGC-MSno
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaArthrobacter AgilisLB mediumSPME-GC/MSno
ProkaryotaShewanella AlgaeNA mediumSPME-GC/MSyes
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaChryseobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaTsukamurella Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaDyella Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaJanthinobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno


2,3,5-trimethylphenol

Compound Details

Synonymous names
2,3,5-TRIMETHYLPHENOL
697-82-5
Isopseudocumenol
1-Hydroxy-2,3,5-trimethylbenzene
Phenol, 2,3,5-trimethyl-
70969-66-3
Phenol, 2,3,5(or 3,4,5)-trimethyl-
MFCD00002228
DTXSID3047184
CHEBI:38570
1S1061ZBQ1
NSC-5296
2,3,5-Trimethylphenol 100 microg/mL in Methanol
6-HYDROXYPSEUDOCUMENE
UNII-1S1061ZBQ1
NSC5296
NSC 5296
EINECS 211-806-9
2,3,5-Trimethyphenol
Phenol,3,5-trimethyl-
2,3,5-trimethyl-phenol
2, 3, 5-Trimethylphenol
SCHEMBL205747
CHEMBL3182604
DTXCID1027184
2,3,5-Trimethylphenol, 99%
STR04504
Tox21_302716
AKOS000274544
CCG-302509
CS-W016528
HY-W015812
MCULE-2192690980
NCGC00256639-01
AC-10653
CAS-697-82-5
DB-025388
METACRESOL IMPURITY M [EP IMPURITY]
AM20061097
NS00006029
T0485
EN300-22345
A836645
W-104590
Q27117905
F0001-1811
Z147642480
2,3,5-Trimethylphenol, PESTANAL(R), analytical standard
InChI=1/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H
Microorganism:

Yes

IUPAC name2,3,5-trimethylphenol
SMILESCC1=CC(=C(C(=C1)O)C)C
InchiInChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
FormulaC9H12O
PubChem ID12769
Molweight136.19
LogP2.7
Atoms10
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds phenols benzenoids
CHEBI-ID38570
Supernatural-IDSN0264915

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes


2-methoxy-4-methyl-1-propan-2-ylbenzene

Compound Details

Synonymous names
1076-56-8
2-Isopropyl-5-methylanisole
Thymol methyl ether
O-Methylthymol
Thymyl methyl ether
1-Isopropyl-2-methoxy-4-methylbenzene
Methyl thymyl ether
3-Methoxy-p-cymene
4-Isopropyl-3-methoxytoluene
Methyl thymol ether
Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-
Benzene,2-methoxy-4-methyl-1-(1-methylethyl)-
ANISOLE, 2-ISOPROPYL-5-METHYL-
2-methoxy-4-methyl-1-propan-2-ylbenzene
1-Methyl-3-methoxy-4-isopropylbenzene
methylthymol
FEMA No. 3436
Thymol methyl
thymol Me ether
2-methoxy-4-methyl-1-(propan-2-yl)benzene
2-Methoxy-4-methyl-1-(1-methylethyl)benzene
VTE0C4390U
DTXSID5047617
NSC-404221
Methylthymol, o-
EINECS 214-063-9
NSC 404221
BRN 2042889
UNII-VTE0C4390U
AI3-03431
thymyl methyl oxide
Methyl THYMYL oxide
starbld0009587
Thymol derivative, 21
Fema3436
4-06-00-03335 (Beilstein Handbook Reference)
:2-Isopropyl-5-methylanisole
3-METHOXY-PARA-CYMENE
SCHEMBL196752
2-Isopropyl-5-methyl-Anisole
CHEMBL2424841
DTXCID3027617
CHEBI:167336
BDBM248170
Tox21_302575
MFCD01674973
NSC404221
2-ISO PROPYL-5-METHYLANISOLE
AKOS015914183
Thymol methyl ether (= methyl thymol)
NCGC00256877-01
LS-13985
CAS-1076-56-8
CS-0335474
I0996
NS00012741
1-Methyl-3-methoxy-4-isopropylbenzene, 98%
D91215
Q27292012
1-METHYL-3-METHOXY-4-ISOPROPYL BENZENE [FHFI]
1-Isopropyl-2-methoxy-4-methylbenzene, analytical standard
Microorganism:

Yes

IUPAC name2-methoxy-4-methyl-1-propan-2-ylbenzene
SMILESCC1=CC(=C(C=C1)C(C)C)OC
InchiInChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
FormulaC11H16O
PubChem ID14104
Molweight164.24
LogP3.8
Atoms12
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers benzenoids
CHEBI-ID167336
Supernatural-IDSN0214338

mVOC Specific Details

Boiling Point
DegreeReference
214 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes


2-(2-methylpropyl)-3-propan-2-ylpyrazine

Compound Details

Synonymous names
2-(2-Methylpropyl)-3-(1-methylethyl)pyrazine
SCHEMBL9953172
2-Isobutyl-3-isopropylpyrazine #
IYJJYDZIDFEECJ-UHFFFAOYSA-N
2-(2-methylpropyl)-3-(1-methylethyl)-pyrazine
Microorganism:

Yes

IUPAC name2-(2-methylpropyl)-3-propan-2-ylpyrazine
SMILESCC(C)CC1=NC=CN=C1C(C)C
InchiInChI=1S/C11H18N2/c1-8(2)7-10-11(9(3)4)13-6-5-12-10/h5-6,8-9H,7H2,1-4H3
FormulaC11H18N2
PubChem ID585737
Molweight178.27
LogP2.7
Atoms13
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds heterocyclic compounds pyrazines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
ProkaryotaPaenibacillus Polymyxacollection TU GrazRybakova et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian FE supp.SPME/GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, LB media, TSA mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaGC-MS / SPMEno


2,5-dimethyl-3-propan-2-ylpyrazine

Compound Details

Synonymous names
2,5-Dimethyl-3-isopropylpyrazine
3-Isopropyl-2,5-dimethylpyrazine
40790-20-3
2,5-dimethyl-3-propan-2-ylpyrazine
7P7UTQ6SJX
Pyrazine, 2,5-dimethyl-3-(1-methylethyl)-
2,5-Dimethyl-3-(1-methylethyl)pyrazine
UNII-7P7UTQ6SJX
SCHEMBL12141954
DTXSID001019729
2,5-dimethyl-3-isopropyl pyrazine
2,5-dimethyl-3-isopropyl-pyrazine
3-Isopropyl-2,5-dimethylpyrazine #
DB-289034
NS00113849
Microorganism:

Yes

IUPAC name2,5-dimethyl-3-propan-2-ylpyrazine
SMILESCC1=CN=C(C(=N1)C(C)C)C
InchiInChI=1S/C9H14N2/c1-6(2)9-8(4)10-5-7(3)11-9/h5-6H,1-4H3
FormulaC9H14N2
PubChem ID518790
Molweight150.22
LogP1.7
Atoms11
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds heterocyclic compounds pyrazines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus PolymyxaLB mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaLB media, TSA mediaHS-SPME/GC-MSno
ProkaryotaNannocystis Exedensn/an/ano


Penta-1,4-diene

Compound Details

Synonymous names
1,4-PENTADIENE
Penta-1,4-diene
591-93-5
Pentadiene-1,4
A5IF861OQ5
NSC-73902
UNII-A5IF861OQ5
NSC73902
EINECS 209-736-9
MFCD00008665
NSC 73902
penta-1,4-dien-3-yl
CH2=CHCH2CH=CH2
1,4-Pentadiene, 99%
DTXSID8060456
DTXSID90931970
AKOS025295503
NS00034106
P0038
D91889
A832205
Q161535
InChI=1/C5H8/c1-3-5-4-2/h3-4H,1-2,5H
Microorganism:

Yes

IUPAC namepenta-1,4-diene
SMILESC=CCC=C
InchiInChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2
FormulaC5H8
PubChem ID11587
Molweight68.12
LogP2.5
Atoms5
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkadienes unsaturated hydrocarbons
Supernatural-IDSN0318991

mVOC Specific Details

Boiling Point
DegreeReference
25.999999999999996 median, REST, convertet to C

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Velezensismaize seedMassawe et al. 2018
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
ProkaryotaBacillus Subtilisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus SubtilisNAMülner et al. 2020
ProkaryotaBacillus Atrophaeusgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus AmyloliquefaciensNAMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus LicheniformisLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus LicheniformisNAMülner et al. 2020
ProkaryotaBacillus PumilusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus PumilusNAMülner et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus VelezensisMinimal salt mediumSPME, GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, LB media, TSA mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, LB mediaHS-SPME/GC-MSno
ProkaryotaBacillus Subtilisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno


Methanethiol

Mass-Spectra

Compound Details

Synonymous names
methanethiol
METHYL MERCAPTAN
Methylmercaptan
Mercaptomethane
74-93-1
Methyl sulfhydrate
Thiomethanol
Methanthiol
Thiomethyl alcohol
Metilmercaptano
Methvtiolo
Methylmercaptaan
Mercaptan methylique
Methaanthiol
Thiomethane
RCRA waste number U153
FEMA No. 2716
Methanethiole
CH3SH
methyl-mercaptan
Methyl thioalcohol
MeSH
UN 1064
2X8406WW9I
Methaanthiol [Dutch]
Methanthiol [German]
Methvtiolo [Italian]
Methylmercaptaan [Dutch]
Metilmercaptano [Italian]
Metilmercaptano [Spanish]
SCH 54292
Methyl mercaptan (natural)
Mercaptan methylique [French]
HSDB 813
EINECS 200-822-1
UN1064
RCRA waste no. U153
BRN 1696840
methylsulfanyl
methane thiol
methyl sulfides
methyl thiol
methyl-thiol
UNII-2X8406WW9I
(methyl)sulfane
Methylthioalcohol
a methyl thioether
sulfonium methylide
Methanethiol, purum
Methanethiol, 98.0%
METHANETHIOL [MI]
EC 200-822-1
Methanethiol, >=98.0%
4-01-00-01273 (Beilstein Handbook Reference)
METHYL MERCAPTAN [FHFI]
METHYL MERCAPTAN [HSDB]
DTXSID5026382
CHEBI:16007
CHEBI:86315
DTXSID10168842
DTXSID60992376
InChI=1/CH4S/c1-2/h2H,1H
NSC229573
AKOS009157032
NSC-229573
Methyl mercaptan [UN1064] [Poison gas]
NS00020025
C00409
Q409309
17719-48-1
Z22
Microorganism:

Yes

IUPAC namemethanethiol
SMILESCS
InchiInChI=1S/CH4S/c1-2/h2H,1H3
FormulaCH4S
PubChem ID878
Molweight48.11
LogP0.5
Atoms2
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID16007
Supernatural-IDSN0213930

mVOC Specific Details

Boiling Point
DegreeReference
5.95 °C peer reviewed
Volatilization
The Henry's Law constant for methyl mercaptan is estimated as 0.0031 atm-cu m/mole(SRC) derived from its vapor pressure, 1,510 mm Hg(1), and water solubility, 15,400 mg/L(2). This Henry's Law constant indicates that methyl mercaptan 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 0.8 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 2.8 days(SRC). Methyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces is expected to occur(SRC). Methyl mercaptan is expected to volatilize rapidly from dry soil surfaces based upon its vapor pressure and because it is a gas a temperatures above 6 deg C(SRC). However, gaseous methyl mercaptan gas has been found to strongly adsorb to moist and dry soil surfaces suggesting that adsorption might be an environmental sink for methyl mercaptan(4). Therefore, the importance of volatilization from soil surfaces may be attenuated by adsorption(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Smith KA et al; Soil Sci 116: 313-9 (1973)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl mercaptan can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl mercaptan is expected to have very high mobility in soil. Gaseous methyl mercaptan has been observed to partition to soils(3). For example, when gaseous methyl mercaptan was passed over six air-dried and moist (50% field capacity) soils, 2.4-32.1 mg/g and 2.2-21.4 mg/g of methyl mercaptan rapidly adsorbed to the dry and moist soils, respectively(3). Neither the capacity or rate of sorption was correlated to soil pH, organic matter content, or clay content; sterile controls ruled out the involvement of microorganisms(3); it was suggested that adsorption to soil surfaces might be an environmental sink for gaseous methyl mercaptan(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of July 19, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Smith KA et al; Soil Sci 116: 313-9 (1973)
Vapor Pressure
PressureReference
1,510 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
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAChippendale et al. 2014
ProkaryotaEscherichia ColiNANADolch et al. 2012
ProkaryotaPseudomonas AeruginosaNANADolch et al. 2012
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAScotter et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaNeisseria MeningitidisNANAScotter et al. 2006
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANACarroll et al. 2005
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAScotter et al. 2006
ProkaryotaStreptococcus PyogenesNANAThorn et al. 2011
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNANANA
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaBacillus AtrophaeusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus AmyloliquefaciensLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus LicheniformisLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus PumilusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
EukaryotaTuber Magnatumcollected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaAlpha Proteobacterian/aNASchulz and Dickschat 2007
ProkaryotaGamma Proteobacterian/aNASchulz and Dickschat 2007
ProkaryotaAlcaligenes Faecalisn/aNASchulz and Dickschat 2007
ProkaryotaDesulfovibrio Acrylicusn/aNASchulz and Dickschat 2007
ProkaryotaParasporobacterium Paucivoransn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaOenococcus Oenin/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Brevisn/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Hilgardiin/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Plantarumn/aNASchulz and Dickschat 2007
ProkaryotaPorphyromonas Gingivalisn/aNASchulz and Dickschat 2007
ProkaryotaFusobacterium Nucleatumn/aNASchulz and Dickschat 2007
ProkaryotaTreponema Denticolan/aNASchulz and Dickschat 2007
ProkaryotaCitrobacter Freundiin/aNASchulz and Dickschat 2007
ProkaryotaEscherichia Colin/aNABunge et al. 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
EukaryotaTuber Magnatumn/aItalian geographical areas (Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al. 2008
ProkaryotaPseudomonas PutidananaSchöller et al. 1997
ProkaryotaPseudomonas TolaasiinanaLo Cantore et al. 2015
ProkaryotaPseudomonas Putidanarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
ProkaryotaKlebsiella PneumoniaeNARees et al. 2016a
EukaryotaSchizophyllum Communen/aNAStotzky and Schenck 1976
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaPseudomonas Perolensnasterile fish muscle (Sebastes melanops)Miller et al. 1973
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaEscherichia ColiNANAAlmeida et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
ProkaryotaMicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBHIGC-MSno
ProkaryotaEscherichia ColiLBIMR-MSno
ProkaryotaPseudomonas AeruginosaLBIMR-MSno
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaPseudomonas selectiveSIFT-MSno
ProkaryotaPseudomonas AeruginosaBlood agarSIFT-MSno
ProkaryotaPseudomonas AeruginosaBacT/ALERT FASIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaStreptococcus PyogenesTYESIFT-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, TSA mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaTSA mediaHS-SPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
EukaryotaTuber MagnatumGC-MS-Ono
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaAlpha Proteobacterian/an/ano
ProkaryotaGamma Proteobacterian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaDesulfovibrio Acrylicusn/an/ano
ProkaryotaParasporobacterium Paucivoransn/an/ano
ProkaryotaLactococcus Sp.n/an/ano
ProkaryotaLactobacillus Sp.n/an/ano
ProkaryotaLactobacillus Lactisn/an/ano
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaLactobacillus Brevisn/an/ano
ProkaryotaLactobacillus Hilgardiin/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPorphyromonas Gingivalisn/an/ano
ProkaryotaFusobacterium Nucleatumn/an/ano
ProkaryotaTreponema Denticolan/an/ano
ProkaryotaCitrobacter Freundiin/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaPseudomonas PutidaAB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MSno
ProkaryotaPseudomonas TolaasiiKBSPME-GCno
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
ProkaryotaKlebsiella PneumoniaeLB GCxGC-TOF-MSno
EukaryotaSchizophyllum Communen/an/ano
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaPseudomonas PerolensTrypticase soil agar (BBL)GC/MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEnterobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEscherichia ColiLB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


1,3-benzothiazole

Mass-Spectra

Compound Details

Synonymous names
BENZOTHIAZOLE
95-16-9
BENZO[D]THIAZOLE
1,3-Benzothiazole
Benzosulfonazole
1-Thia-3-azaindene
Vangard BT
benzothiazol
USAF EK-4812
FEMA No. 3256
CHEBI:45993
O-2857
MFCD00005775
G5BW2593EP
DTXSID7024586
NSC-8040
BT
DTXCID204586
benzthiazole
FEMA Number 3256
CAS-95-16-9
CCRIS 7893
HSDB 2796
NSC 8040
EINECS 202-396-2
BRN 0109468
UNII-G5BW2593EP
s-benzothiazole
AI3-05742
Benzothiazole, 96%
1,3-Benzothiazole #
BENZOTHIAZOLE [MI]
Epitope ID:138946
EC 202-396-2
SCHEMBL8430
BENZOTHIAZOLE [FHFI]
BENZOTHIAZOLE [HSDB]
WLN: T56 BN DSJ
4-27-00-01069 (Beilstein Handbook Reference)
MLS001050134
Benzothiazole, >=96%, FG
CHEMBL510309
SCHEMBL9304593
NSC8040
Benzothiazole, analytical standard
AMY23315
Tox21_201853
Tox21_303232
BDBM50444460
LT0034
STL268890
AKOS000120178
AC-3297
CS-W013350
FS-4155
HY-W012634
MCULE-5257468117
NCGC00091399-01
NCGC00091399-02
NCGC00257070-01
NCGC00259402-01
BOT
SMR001216577
DB-057562
B0092
NS00000291
Benzothiazole, Vetec(TM) reagent grade, 96%
EN300-19148
D77749
AC-907/25014160
Q419096
Q-100900
F0001-2268
Z104472964
InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5
Microorganism:

Yes

IUPAC name1,3-benzothiazole
SMILESC1=CC=C2C(=C1)N=CS2
InchiInChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
FormulaC7H5NS
PubChem ID7222
Molweight135.19
LogP2
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitrogen compounds benzenoids heterocyclic compounds thiazoles aromatic compounds sulfur compounds
CHEBI-ID45993
Supernatural-IDSN0150933

mVOC Specific Details

Boiling Point
DegreeReference
227-228 DEG C AT 765 MM HGBudavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 186
Volatilization
The Henry's Law constant for benzothiazole is estimated as 3.7 X 10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that benzothiazole will volatilize slowly from water surfaces(2,SRC). 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) is estimated as approximately 114 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 832 days(2,SRC). Benzothiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces should be slow(SRC).
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)
Soil Adsorption
The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
MS-Links
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-Antwerp_Univ-AN124202
Massbank Spectrum MSBNK-Antwerp_Univ-AN124204
Massbank Spectrum MSBNK-Antwerp_Univ-AN124208
Massbank Spectrum MSBNK-Athens_Univ-AU405606
Massbank Spectrum MSBNK-Athens_Univ-AU405608
Massbank Spectrum MSBNK-BAFG-CSL2311108601
Massbank Spectrum MSBNK-BAFG-CSL2311108602
Massbank Spectrum MSBNK-BAFG-CSL2311108603
Massbank Spectrum MSBNK-BAFG-CSL2311108604
Massbank Spectrum MSBNK-BAFG-CSL2311108605
Massbank Spectrum MSBNK-CASMI_2016-SM882102
Massbank Spectrum MSBNK-Eawag-EA034302
Massbank Spectrum MSBNK-Eawag-EA034303
Massbank Spectrum MSBNK-Eawag-EA034304
Massbank Spectrum MSBNK-Eawag-EA034305
Massbank Spectrum MSBNK-Eawag-EA034306
Massbank Spectrum MSBNK-Eawag-EA034307
Massbank Spectrum MSBNK-Eawag-EA034308
Massbank Spectrum MSBNK-Eawag-EA034309
Massbank Spectrum MSBNK-Eawag-EA034310
Massbank Spectrum MSBNK-Eawag-EA034311
Massbank Spectrum MSBNK-Eawag-EA034312
Massbank Spectrum MSBNK-Eawag-EA034313
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000473
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008217
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012060
Massbank Spectrum MSBNK-UFZ-UF420801
Massbank Spectrum MSBNK-UFZ-UF420802
Massbank Spectrum MSBNK-UFZ-UF420803
Massbank Spectrum MSBNK-UFZ-WANA042101AD6CPH
Massbank Spectrum MSBNK-UFZ-WANA042103B085PH
Massbank Spectrum MSBNK-UFZ-WANA042105070APH
Massbank Spectrum MSBNK-UFZ-WANA042111C9CFPH
Massbank Spectrum MSBNK-UFZ-WANA042113D9F1PH
Massbank Spectrum MSBNK-UFZ-WANA0421155BE0PH
Massbank Spectrum MSBNK-UFZ-WANA0421213166PH
Massbank Spectrum MSBNK-UFZ-WANA0421237762PH
Massbank Spectrum MSBNK-UFZ-WANA042125AF82PH

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas MaltophiliaNANAKaeslin et al. 2021
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaBacillus SubtilisNAGao et al. 2018
ProkaryotaBacillus Velezensistoxic effects on fungal mycelial growthmaize seedMassawe et al. 2018
ProkaryotaBacillus Muralisantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaNovosphingobium Lindaniclasticumantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Subtilisantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Megateriumantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
ProkaryotaStenotrophomonas Maltophiliaantifungal activity against Colletotrichum nymphaeaeisolated from the healthy strawberry leaf in Kamyaran, Kurdistan provinceAlijani et al. 2020
ProkaryotaBacillus Subtilisinhibited the mycelial growth of Lasiodiplodia theobromae L26NASudha et al. 2021
EukaryotaTrichoderma Viriden/anot shownWheatley et al. 1997
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaPseudomonas ChlororaphisIt has been shown to inhibit development of sclerotia of fungi.NASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.It has been shown to inhibit development of sclerotia of fungi.NASchulz and Dickschat 2007
ProkaryotaCyanobacteria Sp.It has been shown to inhibit development of sclerotia of fungi.NASchulz and Dickschat 2007
ProkaryotaMyxobacterium Sp.It has been shown to inhibit development of sclerotia of fungi.NASchulz and Dickschat 2007
ProkaryotaPseudomonas FluorescensInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaPseudomonas CorrugataInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaPseudomonas AurantiacaInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaBacillus Sp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaArthrobacter NitroguajacolicusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
EukaryotaTuber Magnatumn/aItalian geographical areas (Umbria, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al. 2008
EukaryotaTrichoderma Sp.NANemcovic et al. 2008
EukaryotaAspergillus Sp.NASeifert and King 1982
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaBHISESI-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaBacillus SubtilisLuria-Bertani (LB) agarHS / SPME / GC-MSno
ProkaryotaBacillus VelezensisMinimal salt mediumSPME, GC-MSno
ProkaryotaBacillus MuralisNA mediaSPME/GC-MSno
ProkaryotaNovosphingobium LindaniclasticumNA mediaSPME/GC-MSno
ProkaryotaBacillus SubtilisNA mediaSPME/GC-MSno
ProkaryotaBacillus MegateriumNA mediaSPME/GC-MSno
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
ProkaryotaStenotrophomonas MaltophiliaNA mediaGC-MSno
ProkaryotaBacillus Subtilisnutrient agar mediumSPME/GC-MSno
EukaryotaTrichoderma Virideminimal agarVOCS were analysed by Integrated Automated Thermal Desorbtion-GC-MS. The isolates were grown on a minimal agar medium with the carbon:nitrogen levels similar to that found in Scots pine wood. Covered cultures were incubated at 25°C for 48h.no
EukaryotaTrichoderma VirideMalt extract/Low mediumGC/MSno
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaPseudomonas Chlororaphisn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaPseudomonas Fluorescensn/an/ano
ProkaryotaPseudomonas Corrugatan/an/ano
ProkaryotaPseudomonas Aurantiacan/an/ano
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaArthrobacter Nitroguajacolicusn/an/ano
ProkaryotaLysobacter Gummosusn/an/ano
ProkaryotaSporosarcina Ginsengisolin/an/ano
ProkaryotaNannocystis Exedensn/an/ano
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTrichoderma Sp.no
EukaryotaAspergillus Sp.no
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


Methylsulfonylmethane

Mass-Spectra

Compound Details

Synonymous names
Dimethyl sulfone
Methyl sulfone
67-71-0
Methylsulfonylmethane
DIMETHYLSULFONE
Dimethyl sulphone
Sulfonylbismethane
Methane, sulfonylbis-
sulfonyldimethane
(methylsulfonyl)methane
Sulphonylbismethane
Methylsulfonyl methane
METHANESULFONYLMETHANE
METHYL SULFONYL METHANE
DMSO2
NSC 63345
9H4PO4Z4FT
CHEMBL25028
Methane, 1,1'-sulfonylbis-
CHEBI:9349
DTXSID4043937
NSC-63345
methylsulfone
CCRIS 2938
EINECS 200-665-9
UNII-9H4PO4Z4FT
dimethylsulfon
dimethylsulphone
methy sulfone
methyl sulphone
AI3-25306
Lignisul MSM
Sulfonylbis-methane
Opti MSM
Sulfone, dimethyl-
MFCD00007566
(methylsulphonyl)methane
Dimethyl sulfone, 98%
METHOSULFONYLMETHANE
MolMap_000019
DIMETHYL SULFONE [MI]
SPECTRUM1505358
DIMETHYL SULFONE [INCI]
DTXCID2023937
DIMETHYL SULFONE [MART.]
AMY25756
HY-Y1314
NSC63345
METHYLSULFONYLMETHANE [VANDF]
Tox21_303712
BDBM50026473
METHYLSULFONYLMETHANE [USP-RS]
METHYLSULFONYLMETHANE [WHO-DD]
AKOS015897615
CCG-214558
DB14090
MCULE-3320409932
CAS-67-71-0
NCGC00095990-01
NCGC00357027-01
DB-050533
MYTHYLSULFONYLMETHANE (MSM) [VANDF]
CS-0017786
M0509
M1239
NS00006500
EN300-79559
D70240
InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H
A835859
Q423842
DIMETHYL SULFOXIDE IMPURITY A [EP IMPURITY]
F0001-1776
Z417007936
Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R)
Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard
Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namemethylsulfonylmethane
SMILESCS(=O)(=O)C
InchiInChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
FormulaC2H6O2S
PubChem ID6213
Molweight94.14
LogP-0.4
Atoms5
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfones sulfur compounds sulfonyls
CHEBI-ID9349
Supernatural-IDSN0126036

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
ProkaryotaBacillus Subtilisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus SubtilisNAMülner et al. 2020
ProkaryotaBacillus Atrophaeusgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus AmyloliquefaciensNAMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus LicheniformisNAMülner et al. 2020
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus PolymyxaNA mediaHS-SPME/GC-MSno
ProkaryotaBacillus Subtilisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno
ProkaryotaCollimonas FungivoransHeadspace trapping/GC-MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno


4-ethyldecane

Compound Details

Synonymous names
Decane, 4-ethyl-
4-Ethyldecane
1636-44-8
4-Ethyldecan
4-ethyl-decane
4-Ethyldecane #
DTXSID30936848
Microorganism:

Yes

IUPAC name4-ethyldecane
SMILESCCCCCCC(CC)CCC
InchiInChI=1S/C12H26/c1-4-7-8-9-11-12(6-3)10-5-2/h12H,4-11H2,1-3H3
FormulaC12H26
PubChem ID519256
Molweight170.33
LogP6.4
Atoms12
Bonds8
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAMellors et al. 2018
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H9TD/GCxGC-MSno
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSno


2-methylbutanenitrile

Compound Details

Synonymous names
2-Methylbutyronitrile
2-Methylbutanenitrile
18936-17-9
2-Cyanobutane
Butanenitrile, 2-methyl-
sec-Butyl Cyanide
alpha-Methylbutyronitrile
2-Methylbutanone cyanohydrin
Butyronitrile, 2-methyl-
s-butyl cyanide
.alpha.-Methylbutyronitrile
R5Y900M14U
NSC-165615
EINECS 242-687-1
NSC 165615
2-methylbutylnitrile
starbld0016720
EC 242-687-1
UNII-R5Y900M14U
(+/-)-2-CYANOBUTANE
CHEBI:61669
DTXSID50871287
MFCD00001877
NSC165615
NSC827138
AKOS009157026
NSC-827138
CS-0217171
M0706
NS00005064
EN300-69936
C21525
J-012219
2-Methylbutyronitrile, Lonza quality, >=80.0% (GC)
Q27131266
(+)-(S)-2-methylbutane nitrile; Butanenitrile,2-methyl-,(2S); (S)-2-Methyl-butyronitril; (S)-(+)-2-Methylbutyronitrile
Microorganism:

Yes

IUPAC name2-methylbutanenitrile
SMILESCCC(C)C#N
InchiInChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3
FormulaC5H9N
PubChem ID29339
Molweight83.13
LogP1.1
Atoms6
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationnitriles nitrogen compounds
CHEBI-ID61669
Supernatural-IDSN0321406

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAKaeslin et al. 2021
ProkaryotaIgnatzschineria Indicapig (Sus scrofa domesticus) carcassCernosek et al. 2020
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
EukaryotaRhizoctonia Solanicollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaBHISESI-MSno
ProkaryotaIgnatzschineria IndicaNutrient AgarSPME-GC-MSno
ProkaryotaPaenibacillus PolymyxaTSA mediaHS-SPME/GC-MSno
EukaryotaRhizoctonia SolaniPotato Dextrose Agar4Tenax TA / TDGC-MSno


3-hydroxybutan-2-one

Mass-Spectra

Compound Details

Synonymous names
acetoin
3-hydroxy-2-butanone
513-86-0
3-hydroxybutan-2-one
acetylmethylcarbinol
Dimethylketol
Acetyl methyl carbinol
2-Butanone, 3-hydroxy-
2,3-Butanolone
2-Hydroxy-3-butanone
1-Hydroxyethyl methyl ketone
Methanol, acetylmethyl-
Acetoin (natural)
gamma-Hydroxy-beta-oxobutane
3-hydroxyl-2-butanone
FEMA No. 2008
CCRIS 2918
HSDB 974
.gamma.-Hydroxy-.beta.-oxobutane
DL-Acetoin
NSC 7609
2-Acetoin
2-Butanol-3-one
AI3-03314
(+/-)-Acetoin
2-hydroxy-3-oxobutane
BG4D34CO2H
51555-24-9
DTXSID0024399
(+/-)-3-Hydroxybutan-2-one
NSC-7609
MFCD00004521
Acethoin
Butan-2-ol-3-one
EINECS 208-174-1
UN2621
UNII-BG4D34CO2H
1-Hydroxethyl methyl ketone
acetoine
BRN 0385636
acetylmethyl-
beta-oxobutane
2-Butanone, 3-hydroxy-, (R)-
b-oxobutane
Acetoin dimer
3-Oxo-2-butanol
ACETOIN MONOMER
DI-METHYLKETOL
Methanol, acetylmethyl
3-hydroxy-2-oxobutane
2-butanone, 3-hydroxy
3-hydroxy-butan-2-one
ACETOIN (DIMER)
Acetoin (~90%)
ACETOIN [FHFI]
ACETOIN [HSDB]
3-hydroxy-butane-2-one
ACETOIN [MI]
ACETOIN (MONOMER)
Acetoin, analytical standard
Butan-2-one, 3-hydroxy-
Acetoin, >=96%, natural
2-01-00-00870 (Beilstein Handbook Reference)
BUTAN-2-0L-3-ONE
DTXCID304399
ACETOIN (DIMER) [FCC]
CHEMBL3561873
CHEBI:15688
ACETOIN (MONOMER) [FCC]
NSC7609
Acetoin, natural, >=95%, FG
ACETOIN(MAY INCLUDE DIMER)
Acetoin, >=96%, FCC, FG
(S)-3-HYDROXY-2-BUTANONE
NSC89727
Tox21_302518
LMFA12000020
NSC-89727
AKOS000121293
AKOS017278202
MCULE-5374414264
UN 2621
2-Butanone, 3-hydroxy- (8CI,9CI)
Acetoin, May exist as crystalline dimer
Acetoin (may exist as crystalline dimer)
NCGC00256914-01
2-Butanone, 3-hydroxy-, (.+/-.)-
CAS-513-86-0
PD124062
3-Hydroxybutan-2-one (may include dimer)
DB-003392
H0225
NS00011932
EN300-21639
C00466
D93492
Q223083
Q-200581
Acetyl methyl carbinol [UN2621] [Flammable liquid]
2,3,5,6- TETRAMETHYL-1,4-DIOXANE-2,5-DIOL
F0001-1338
Microorganism:

Yes

IUPAC name3-hydroxybutan-2-one
SMILESCC(C(=O)C)O
InchiInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
FormulaC4H8O2
PubChem ID179
Molweight88.11
LogP-0.3
Atoms6
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationalcohols ketones
CHEBI-ID15688
Supernatural-IDSN0331260

mVOC Specific Details

Boiling Point
DegreeReference
148 °C peer reviewed
Volatilization
The Henry's Law constant for acetoin is estimated as 1.0X0-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that acetoin 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 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 28 days(SRC). Acetoin's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetoin is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)
Soil Adsorption
The Koc of acetoin is estimated as 2(SRC), using a water solubility of 1.0X10+6 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that aetoin is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL DATABASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.7X10+0 at 25 deg C /Estimated/US EPA; Estimation Program Interface (EPI) Suite. Ver.3.11. June 10, 2003. Available from, as of Mar 15, 2005: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PyogenesNANAThorn et al. 2011
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaStreptococcus PneumoniaeNANAMellors et al. 2018
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaStaphylococcus AureusNANAZechman et al. 1986
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStaphylococcus Epidermidisclinical isolate,catheterLemfack et al. 2016
ProkaryotaStaphylococcus Haemolyticusclinical isolate,human skinLemfack et al. 2016
ProkaryotaStaphylococcus Saccharolyticusclinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus Schleifericlinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus Warnericlinical isolate,human skinLemfack et al. 2016
ProkaryotaErwinia AmylovoraNACellini et al. 2018
ProkaryotaEscherichia ColiChina Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et al. 2017
ProkaryotaListeria MonocytogenesChina Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et al. 2017
ProkaryotaShigella FlexneriChina Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et al. 2017
ProkaryotaStaphylococcus AureusChina Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et al. 2017
ProkaryotaBacillus Sp.KX395632.1Fincheira et al. 2017
EukaryotaTrichoderma Harzianum0NALi et al. 2018
ProkaryotaBacillus AmyloliquefaciensInhibition of fusarium oxysporum f.sp. Niveum; fresh weight of Arabidopsis seedlings increasedrhizosphere soils of watermelon plantsWu et al. 2019
ProkaryotaBacillus Amyloliquefaciens0rhizosphere soils of watermelon plantsWu et al. 2019
EukaryotaTrichoderma HarzianumNALi et al. 2018
ProkaryotaBacillus Subtilisantibacterial activity against growth of Ralstonia solanacearumPlant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New DelhiKashyap et al. 2022
ProkaryotaPseudomonas Fluorescensantibacterial activity against growth of Ralstonia solanacearumPlant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New DelhiKashyap et al. 2022
ProkaryotaBacillus Tequilensisantifungal activity against the hyphae growth of Ceratocystis fimbriatarhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016Xu et al. 2021
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaBacillus Amyloliquefaciensstimulate growth of Solanum tuberosumcommercial strainHeenan-Daly et al. 2021
ProkaryotaBacillus Toyonensisstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Myotisisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaStaphylococcus Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
ProkaryotaBacillus Sp.antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)NALópez et al. 2021
ProkaryotaBacillus AmyloliquefaciensNAMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus VelezensisNAMülner et al. 2020
ProkaryotaBacillus PumilusNAMülner et al. 2020
EukaryotaFusarium OxysporumNAMoisan et al. 2021
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 103NACalvo et al. 2020
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 112NACalvo et al. 2020
ProkaryotaStaphylococcus AureusNational Collections of Industrial Food and Marine Bacteria, American Type Culture Collection, Southmead HospitalSlade et al. 2022
EukaryotaGrosmannia ClavigeraNorthern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, AlbertaWang et al. 2020
EukaryotaOphiostoma Ipsisolated from bark beetle galleries in lodgepole pineWang et al. 2020
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaLaccaria Bicolorn/aNAMueller et al. 2013
EukaryotaPaxillus Involutusn/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaTrichoderma Viriden/aNAMueller et al. 2013
ProkaryotaStaphylococcus Aureusn/aNAPreti et al. 2009
ProkaryotaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
ProkaryotaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al. 2011
ProkaryotaBacillus Subtilistriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al. 2004
ProkaryotaBacillus Amyloliquefacienstriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al. 2004
ProkaryotaLactobacillus RhamnosusnanaPogačić et al. 2016
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaTuber BorchiinanaSplivallo and Ebeler 2015
EukaryotaTuber IndicumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Tropican/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaLimnobacter Thiooxidansn/aNABlom et al. 2011
ProkaryotaPandoraea Norimbergensisn/aNABlom et al. 2011
ProkaryotaPseudomonas Chlororaphisn/aNABlom et al. 2011
ProkaryotaSerratia Entomophilan/aNABlom et al. 2011
ProkaryotaSerratia Marcescensn/aNABlom et al. 2011
ProkaryotaSerratia Plymuthican/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
EukaryotaCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
ProkaryotaEnterobacter AgglomeransNARobacker and Lauzon 2002
ProkaryotaBacillus Sp.It is an attractant to Anastrepha ludens (Diptera).NASchulz and Dickschat 2007
ProkaryotaEnterobacter Sp.It is an attractant to Anastrepha ludens (Diptera).NASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.It is an attractant to Anastrepha ludens (Diptera).NASchulz and Dickschat 2007
ProkaryotaSerratia Sp.It is an attractant to Anastrepha ludens (Diptera).NASchulz and Dickschat 2007
ProkaryotaStaphylococcus Sp.It is an attractant to Anastrepha ludens (Diptera).NASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.It is an attractant to Anastrepha ludens (Diptera).NASchulz and Dickschat 2007
EukaryotaBoletus Variegatusn/aNAStotzky and Schenck 1976
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
ProkaryotaBacillus SubtilisInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.NARyu et al. 2003
ProkaryotaBacillus AmyloliquefaciensInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.NARyu et al. 2003
ProkaryotaLactobacillus Casein/aNATracey and Britz 1989
ProkaryotaLactobacillus Plantarumn/aNATracey and Britz 1989
ProkaryotaPediococcus Damnosusn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Cremorisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Dextranicumn/aNATracey and Britz 1989
ProkaryotaLactococcus Lactisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Mesenteroidesn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Paramesenteroidesn/aNATracey and Britz 1989
ProkaryotaOenococcus Oenin/aNATracey and Britz 1989
EukaryotaTrichoderma Viriden/aNAHung et al. 2013
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Uberisn/aNAHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcin/aNAHettinga et al. 2008
ProkaryotaAzospirillum Brasilensepromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaStreptococcus Dysgalactiaemilk of cowsHettinga et al. 2008
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
EukaryotaFusarium VerticillioidesNADickschat et al. 2011
ProkaryotaBacillus AmyloliquefaciensnanaAsari et al. 2016
ProkaryotaPaenibacillus Polymyxacollection TU GrazRybakova et al. 2017
EukaryotaVerticillium Longisporumcollection TU GrazRybakova et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPseudomonas SegetisNANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaPhytophthora PlurivoraN/APhytophthora plurivoraLoulier et al. 2020
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaLactiplantibacillus PlantarumChen et al. 2023
ProkaryotaLactobacillus PlantarumZhang et al. 2023
ProkaryotaBacillus ThuringiensisKoilybayeva et al. 2023
ProkaryotaBacillus ToyonensisKoilybayeva et al. 2023
ProkaryotaBacillus AcidiproducensKoilybayeva et al. 2023
ProkaryotaBacillus CereusKoilybayeva et al. 2023
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
ProkaryotaEnterobacter AgglomeransTallon et al. 2023
EukaryotaSaccharomyces CerevisiaePeng et al. 2023
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStreptococcus PyogenesTYESIFT-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisTSBSPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaStreptococcus PneumoniaeModified Lacks MediaSPME/GCxGC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaStaphylococcus AureusTSBTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus Epidermidisbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Haemolyticusbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Saccharolyticusbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Schleiferibrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Warneribrain heart infusion mediumPorapak / GC/MSno
ProkaryotaErwinia AmylovoraLuria-Bertani (LB)PTR-MS / SPME / GC-MSno
ProkaryotaEscherichia ColiTrypticase Soy Broth (TSB)HS-SPME/GC-MSno
ProkaryotaListeria MonocytogenesTrypticase Soy Broth (TSB)HS-SPME/GC-MSno
ProkaryotaShigella FlexneriTrypticase Soy Broth (TSB)HS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusTrypticase Soy Broth (TSB)HS-SPME/GC-MSno
ProkaryotaBacillus Sp.Plate Count agar (PCA)GC–MSyes
ProkaryotaBacillus Sp.Methyl Red & Voges Proskauer broth (MRVP-B)SPME, GC-MSyes
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
ProkaryotaBacillus Amyloliquefaciensmodified Murashige-Skoog (MS) culture mediumSPME-GC-MSno
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
ProkaryotaBacillus SubtilisLB agarGC-MSno
ProkaryotaPseudomonas FluorescensLB agarGC-MSno
ProkaryotaBacillus TequilensisLB mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, LB media, TSA mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, LB media, TSA media, Landy mediaHS-SPME/GC-MSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaBacillus AmyloliquefaciensTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisTSB media, MR-VP (Methyl Red-Vogos Proskeur) media, M+S (Murashige and Skoog) mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia MyotisTSB mediaSPME/GC-MSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaBacillus Sp.TYB mediaGC-MSno
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
EukaryotaFusarium Oxysporum1/5th PDA mediumGC-MSno
ProkaryotaBacillus VelezensisMOLP mediaSPME/GC-MSyes
ProkaryotaStaphylococcus AureusTS agar/blood agarHS-SPME/GC-MSno
EukaryotaGrosmannia ClavigeraPDA mediaGC-MSno
EukaryotaOphiostoma IpsPDA mediaGC-MSno
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaSerratia Sp.n/an/ano
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPaxillus InvolutusMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
ProkaryotaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
ProkaryotaStaphylococcus Sciuri867 liquid mediumSPME-GC/MSno
ProkaryotaBacillus SubtilisMurashige and Skoog mediumcapillary GC;GC/MSyes
ProkaryotaBacillus AmyloliquefaciensMurashige and Skoog mediumcapillary GC;GC/MSyes
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaTuber BorchiinaSPME-GC/MS/O); GC-Ryes
EukaryotaTuber Indicumyes
ProkaryotaBacillus CereusMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TropicaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaChromobacterium ViolaceumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaLimnobacter Thiooxidans MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPandoraea NorimbergensisMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas Chlororaphis MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia Entomophila MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensLB, MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaMR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLB, MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas Rhizophila MR-VP and LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
EukaryotaCandida Shehataeyeast malt agarSPME, GC-MSyes
ProkaryotaEnterobacter Agglomeransno
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaEnterobacter Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaStaphylococcus Sp.n/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
EukaryotaBoletus Variegatusn/an/ano
ProkaryotaClostridium Sp.n/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Amyloliquefaciensn/an/ano
ProkaryotaLactobacillus Casein/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPediococcus Damnosusn/an/ano
ProkaryotaLeuconostoc Cremorisn/an/ano
ProkaryotaLeuconostoc Dextranicumn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus UberisMilkHS-SPME/GC-MS no
ProkaryotaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS no
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
ProkaryotaStreptococcus DysgalactiaeGCMS DSQno
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
EukaryotaFusarium Verticillioidesno
ProkaryotaBacillus AmyloliquefaciensM9AGC/MSno
ProkaryotaPaenibacillus PolymyxaGC-MS / SPMEno
EukaryotaVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Atrophaeustryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
EukaryotaPhytophthora PlurivoraPotato Dextrose AgarSPME/GC-MS/MSstandard
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno
ProkaryotaBacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaEnterobacter Agglomeranstryptone soya broth (TSB) mediaSPME/GC/MSno
EukaryotaSaccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane

Compound Details

Synonymous names
1,4-Cineole
470-67-7
Isocineole
1,4-Cineol
1,4-EPOXY-P-MENTHANE
p-Menthane, 1,4-epoxy-
FEMA No. 3658
Isocineple
p-Menthane, 1,4-epoxy
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptane
1-Isopropyl-4-methyl-7-oxabicyclo(2.2.1)heptane
1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane
7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl-
B55JTU839B
7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-
CHEBI:80788
1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-
1-METHYL-4-(1-METHYLETHYL)-7-OXABICYCLO[2.2.1]HEPTANE
4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane
1,4-Cineole (natural)
HSDB 5425
EINECS 207-428-9
BRN 0104974
UNII-B55JTU839B
IsocineoleIsocineole
5-17-01-00273 (Beilstein Handbook Reference)
SCHEMBL231925
1,4-CINEOLE [FHFI]
1,4-Cineole, >=85%
CHEMBL2288022
DTXSID3047396
SCHEMBL13180469
SCHEMBL15450554
SCHEMBL18993155
1,4-Cineole, analytical standard
RFFOTVCVTJUTAD-AOOOYVTPSA-N
7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- (6CI)
1,4-Cineole, >=95%, FG
HY-N7117
(+/-)-1,4-CINEOLE
MFCD00209502
s5419
1,4-EPOXY-P-MENTHANE [HSDB]
CCG-266250
AS-81210
1ST159200
1-isopropyl-4-methylbicyclo[2.2.1]heptane
C3652
CS-0066997
NS00012694
C16909
F82275
1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane #
Q12470088
1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane, 9CI
(1S,4S)-1-ISOPROPYL-4-METHYL-7-OXABICYCLO[2.2.1]HEPTANE
(1s,4s)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
Microorganism:

Yes

IUPAC name1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
SMILESCC(C)C12CCC(O1)(CC2)C
InchiInChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
FormulaC10H18O
PubChem ID10106
Molweight154.25
LogP2.5
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationterpenes ethers
CHEBI-ID80788
Supernatural-IDSN0323733

mVOC Specific Details

Boiling Point
DegreeReference
173 °C peer reviewed
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Butane-2,3-diol

Mass-Spectra

Compound Details

Synonymous names
2,3-butanediol
513-85-9
Butane-2,3-diol
2,3-butylene glycol
2,3-Dihydroxybutane
Dimethylene glycol
Dimethylethylene glycol
Pseudobutylene glycol
Sym-dimethylethylene glycol
DL-2,3-Butanediol
123513-85-9
MFCD00004523
DTXSID8041321
CHEBI:62064
(2S,3S)-(+)2,3-Butanediol
NISTC6982258
2,3-Butanediol, (R*,R*)-(.+/-.)-
2,3-butanodiol
35007-63-7
Butan-2,3-diol
CCRIS 5501
HSDB 1505
EINECS 208-173-6
BRN 0969165
2,3-Butanediol; >98%
UNII-45427ZB5IJ
(+/-)-2,3-BUTANEDIOL
NSC-249246
2.3-butanediol
2,3-butane diol
butane 2,3-diol
2,3-Butandiol
a 2,3-butanediol
2d-Pharmalyte(9ci)
a butane-2,3-diol
dimethyl ethyleneglycol
2,3-dihydroxy butane
2,3-dihydroxy-butane
D-2,3-Butane diol
dimethyl ethylene glycol
levo-butane-2,3-diol
meso-2,3-butane diol
a 2,3-butylene glycol
2,3-Butanediol (DL)
2,3-Butanediol, 98%
DL-2,3-BUTANDIOL
EC 208-173-6
4-01-00-02524 (Beilstein Handbook Reference)
CHEMBL2312529
DTXCID6021321
45427ZB5IJ
(2R,3R)-(-)2,3-Butanediol
Tox21_300789
NSC249246
AKOS009031391
SB44226
SB44692
NCGC00248169-01
NCGC00254693-01
CAS-513-85-9
SY047189
SY057405
DB-027533
DB-243178
DB-335823
HY-128387
B0681
CS-0099502
NS00077458
S6040
EN300-19321
F14836
2,3-Butanediol, Vetec(TM) reagent grade, 98%
Q209157
METHYL5-ACETYL-3-ETHYLISOXAZOLE-4-CARBOXYLATE
F0001-1337
Z104473532
InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H
Microorganism:

Yes

IUPAC namebutane-2,3-diol
SMILESCC(C(C)O)O
InchiInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
FormulaC4H10O2
PubChem ID262
Molweight90.12
LogP-0.9
Atoms6
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
CHEBI-ID62064
Supernatural-IDSN0276724

mVOC Specific Details

Boiling Point
DegreeReference
182 deg C at 1 atmRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 270
Volatilization
The Henry's Law constant for 2,3-butanediol is estimated as 2.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.24 mm Hg(1), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 2,3-butanediol is expected to be essentially nonvolatile from water surfaces(3). 2,3-Butanediol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.24 mm Hg(1).
Literature: (1) NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry as of Mar 3, 2005. (2) Riddick JA et al; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. NY, NY: John Wiley and Sons p. 270 (1985) (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 2,3-butanediol is estimated as 7.5(SRC), using a log Kow of -0.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,3-butanediol is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.243 mm Hg at 25 deg CNIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
ProkaryotaStaphylococcus Saccharolyticusclinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus Warnericlinical isolate,human skinLemfack et al. 2016
ProkaryotaErwinia AmylovoraNACellini et al. 2018
ProkaryotaBacillus Sp.KX395632.1Fincheira et al. 2017
ProkaryotaBacillus AmyloliquefaciensInhibition of fusarium oxysporum f.sp. Niveum; fresh weight of Arabidopsis seedlings increasedrhizosphere soils of watermelon plantsWu et al. 2019
ProkaryotaBacillus Amyloliquefaciens0rhizosphere soils of watermelon plantsWu et al. 2019
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaBacillus Amyloliquefaciensstimulate growth of Solanum tuberosumcommercial strainHeenan-Daly et al. 2021
ProkaryotaBacillus Toyonensisstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Myotisisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaPseudomonas Pseudoalcaligenespromotes the growth of Zea mays L. and confer the resistance to drought stress in this maizeApplied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University IslamabadYasmin et al. 2021
ProkaryotaPantoea Vagansantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaBacillus Sp.antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)NALópez et al. 2021
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 107NACalvo et al. 2020
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 117NACalvo et al. 2020
ProkaryotaBacillus VelezensisNARiu et al. 2022
EukaryotaMrakia Blollopisinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaTausonia Pullulansinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Sp.inhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Capitatuminhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
ProkaryotaBacillus SubtilisInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.NARyu et al. 2003
ProkaryotaBacillus AmyloliquefaciensInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.NARyu et al. 2003
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
EukaryotaTuber Borchiin/aNASplivallo et al. 2007
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaAzospirillum Brasilensepromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
ProkaryotaBacillus Subtilistriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al. 2004
ProkaryotaBacillus Subtilistrigger induced systemic resistance (ISR)NARyu et al. 2004
ProkaryotaBacillus Amyloliquefacienstrigger induced systemic resistance (ISR)NARyu et al. 2004
EukaryotaTuber Sp.NASplivallo et al. 2007
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
ProkaryotaStaphylococcus Saccharolyticusbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Warneribrain heart infusion mediumPorapak / GC/MSno
ProkaryotaErwinia AmylovoraLuria-Bertani (LB)PTR-MS / SPME / GC-MSno
ProkaryotaBacillus Sp.Plate Count agar (PCA)GC–MSyes
ProkaryotaBacillus Sp.Methyl Red & Voges Proskauer broth (MRVP-B)SPME, GC-MSyes
ProkaryotaBacillus Amyloliquefaciensmodified Murashige-Skoog (MS) culture mediumSPME-GC-MSno
ProkaryotaPaenibacillus PolymyxaLandy mediaHS-SPME/GC-MSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaBacillus AmyloliquefaciensTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia MyotisTSB mediaSPME/GC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
ProkaryotaPantoea VagansTYB mediaGC-MSno
ProkaryotaBacillus Sp.TYB mediaGC-MSno
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
ProkaryotaBacillus VelezensisMOLP mediaSPME/GC-MSyes
ProkaryotaBacillus VelezensisTSA mediaSPME/GC-MSno
EukaryotaMrakia Blollopisartificial nectar mediaGC-MSno
EukaryotaTausonia Pullulansartificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Sp.artificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Capitatumartificial nectar mediaGC-MSno
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Amyloliquefaciensn/an/ano
ProkaryotaClostridium Sp.n/an/ano
EukaryotaTuber Borchiin/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaChromobacterium ViolaceumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
ProkaryotaBacillus SubtilisMurashige and Skoog mediumcapillary GC;GC/MSyes
ProkaryotaBacillus SubtilisMurashige & Skoog medium containing 1.5% (w/v) agar, 1.5% (w/v) Suc, and 0.4% (w/v) TSASuper-Q adsorbent trap/GC-FID or GC-MSyes
ProkaryotaBacillus AmyloliquefaciensMurashige & Skoog medium containing 1.5% (w/v) agar, 1.5% (w/v) Suc, and 0.4% (w/v) TSASuper-Q adsorbent trap/GC-FID or GC-MSyes
EukaryotaTuber Sp.no
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaBacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno


1-chloropentane

Compound Details

Synonymous names
1-CHLOROPENTANE
543-59-9
Pentyl chloride
n-Amyl chloride
Pentane, 1-chloro-
Amyl chloride
n-Pentyl chloride
Pentane, chloro-
n-Butylcarbonyl chloride
1-Chloro-pentane
29656-63-1
0EG9MSD3NK
NSC-7898
UNII-0EG9MSD3NK
HSDB 1071
1-chloranylpentane
NSC 7898
EINECS 208-846-4
AI3-24334
1-Chloropentane, 99%
AMYL CHLORIDE [MI]
SCHEMBL3164
WLN: G5
CHEMBL348039
1-CHLOROPENTANE [HSDB]
DTXSID40870603
NSC7898
MFCD00001015
STL280309
AKOS009158473
MCULE-4412759460
UN 1107
LS-13083
DB-052545
NS00043234
EN300-176712
A830122
Q161610
J-504535
InChI=1/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H
7CL
Microorganism:

Yes

IUPAC name1-chloropentane
SMILESCCCCCCl
InchiInChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
FormulaC5H11Cl
PubChem ID10977
Molweight106.59
LogP2.6
Atoms6
Bonds3
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds chlorides

mVOC Specific Details

Boiling Point
DegreeReference
107.9 °C peer reviewed
Volatilization
The Henry's Law constant for n-amyl chloride is 2.38X10-2 atm-cu m/mole(1). This Henry's Law constant indicates that n-amyl chloride 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 4 days(SRC). n-Amyl chloride's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Amyl chloride is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 32.9 mm Hg(3).
Soil Adsorption
The Koc of n-amyl chloride is estimated as 240(SRC), using a log Kow of 2.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-amyl chloride is expected to have moderate mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
ProkaryotaBacillus LicheniformisNAMülner et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus PolymyxaNA mediaHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno


Hexadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names
palmitic acid
Hexadecanoic acid
57-10-3
Cetylic acid
palmitate
n-Hexadecanoic acid
Hexadecylic acid
1-Pentadecanecarboxylic acid
Hydrofol
n-Hexadecoic acid
Palmitinic acid
hexaectylic acid
Pentadecanecarboxylic acid
hexadecoic acid
1-Hexyldecanoic Acid
Industrene 4516
Emersol 140
Emersol 143
Hystrene 8016
Hystrene 9016
Palmitinsaeure
Palmitic acid, pure
Palmitic acid 95%
Kortacid 1698
FEMA No. 2832
Loxiol EP 278
Palmitic acid (natural)
Hydrofol Acid 1690
Cetyl acid
Prifac 2960
C16:0
HSDB 5001
Pristerene 4934
Pristerene-4934
Edenor C16
NSC 5030
AI3-01594
Lunac P 95KC
Lunac P 95
Lunac P 98
CCRIS 5443
Prifac-2960
CHEBI:15756
NSC5030
NSC-5030
EINECS 200-312-9
UNII-2V16EO95H1
FA 16:0
BRN 0607489
Palmitic acid (NF)
DTXSID2021602
Glycon P-45
IMEX C 1498
2V16EO95H1
Hexadecanoic acid (9CI)
MFCD00002747
67701-02-4
Palmitic acid (7CI,8CI)
CHEMBL82293
DTXCID101602
CH3-[CH2]14-COOH
EC 200-312-9
4-02-00-01157 (Beilstein Handbook Reference)
n-hexadecoate
LMFA01010001
PA 900
EDENOR C 16-98-100
FA 1695
SURFAXIN COMPONENT PALMITIC ACID
1-hexyldecanoate
NCGC00164358-01
LUCINACTANT COMPONENT PALMITIC ACID
1219802-61-5
pentadecanecarboxylate
Hexadecanoic acid 10 microg/mL in Acetonitrile
HEXADECANOIC-11,11,12,12-D4 ACID
PALMITIC ACID (II)
PALMITIC ACID [II]
PALMITIC ACID (MART.)
PALMITIC ACID [MART.]
CH3-(CH2)14-COOH
Palmitic acid; Hexadecanoic acid
PLM
palmic acid
Hexadecanoate (n-C16:0)
PALMITIC ACID (EP MONOGRAPH)
PALMITIC ACID [EP MONOGRAPH]
Acid, Palmitic
CAS-57-10-3
Acid, Hexadecanoic
SR-01000944716
Palmitic acid [USAN:NF]
palmitoate
Hexadecoate
Palmitinate
Palmitinsaure
palmitic-acid
palmitoic acid
Hexadecanoicacid
Aethalic acid
Hexadecanoic acid Palmitic acid
2hmb
2hnx
Palmitic acid_jeyam
n-Hexadecyclic Acid
fatty acid 16:0
Palmitic Acid, FCC
Kortacid 1695
Palmitic acid_RaGuSa
Univol U332
Prifrac 2960
Hexadecanoic acid anion
Hexadecanoic--d5 Acid
3v2q
Palmitic acid, >=99%
bmse000590
Epitope ID:141181
CETYL ACID [VANDF]
PALMITIC ACID [MI]
SCHEMBL6177
PALMITIC ACID [DSC]
PALMITIC ACID [FCC]
PALMITIC ACID [FHFI]
PALMITIC ACID [HSDB]
PALMITIC ACID [INCI]
PALMITIC ACID [USAN]
FAT
WLN: QV15
1-MONOPALMITIN_met001
P5585_SIGMA
PALMITIC ACID [VANDF]
GTPL1055
QSPL 166
PALMITIC ACID [USP-RS]
PALMITIC ACID [WHO-DD]
(1(1)(3)C)hexadecanoic acid
1b56
HMS3649N08
Palmitic acid, analytical standard
Palmitic acid, BioXtra, >=99%
Palmitic acid, Grade II, ~95%
HY-N0830
Palmitic acid, natural, 98%, FG
Tox21_112105
Tox21_201671
Tox21_302966
AC9381
BBL011563
BDBM50152850
s3794
STL146733
Palmitic acid, >=95%, FCC, FG
AKOS005720983
Tox21_112105_1
CCG-267027
CR-0047
DB03796
MCULE-1361949901
Palmitic acid, for synthesis, 98.0%
NCGC00164358-02
NCGC00164358-03
NCGC00256424-01
NCGC00259220-01
BP-27917
Palmitic acid, purum, >=98.0% (GC)
SY006518
CS-0009861
NS00008548
P0002
P1145
Palmitic acid, SAJ first grade, >=95.0%
EN300-19603
C00249
D05341
Palmitic acid, Vetec(TM) reagent grade, 98%
PALMITIC ACID (CONSTITUENT OF SPIRULINA)
Palmitic acid, >=98% palmitic acid basis (GC)
A831313
Q209727
PALMITIC ACID (CONSTITUENT OF FLAX SEED OIL)
PALMITIC ACID (CONSTITUENT OF SAW PALMETTO)
SR-01000944716-1
SR-01000944716-2
BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C
PALMITIC ACID (CONSTITUENT OF BORAGE SEED OIL)
PALMITIC ACID (CONSTITUENT OF SPIRULINA) [DSC]
F0001-1488
Z104474418
PALMITIC ACID (CONSTITUENT OF EVENING PRIMROSE OIL)
PALMITIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Palmitic acid, certified reference material, TraceCERT(R)
Palmitic acid, European Pharmacopoeia (EP) Reference Standard
Palmitic acid, United States Pharmacopeia (USP) Reference Standard
Palmitic acid, Pharmaceutical Secondary Standard; Certified Reference Material
Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759
Microorganism:

Yes

IUPAC namehexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O
InchiInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
FormulaC16H32O2
PubChem ID985
Molweight256.42
LogP6.4
Atoms18
Bonds14
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids organic acids carboxylic acids
CHEBI-ID15756
Supernatural-IDSN0151530

mVOC Specific Details

Boiling Point
DegreeReference
351.5 °C peer reviewed
Volatilization
An estimated pKa of 4.7(1) for palmitic acid indicates palmitic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Palmitic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.8X10-7 mm Hg(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of undissociated palmitic acid is estimated as 189,000(SRC), using a log Kow of 7.17(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated palmitic acid is expected to be immobile in soil. The estimated pKa of palmitic acid is 4.7(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
3.8X10-7 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
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas FluorescensPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas MonteiliiPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas PutidaPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas TaiwanensisPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaProteus Vulgarisrhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)Yu et al. 2013
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
ProkaryotaPrevotella Buccaen/aNABrondz and Olsen 1991
ProkaryotaPrevotella Orisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Oralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Disiensn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Veroralisn/aNABrondz and Olsen 1991
ProkaryotaPrevotella Heparinolyticusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Fragilisn/aNABrondz and Olsen 1991
ProkaryotaPorphyromonas Endodontalisn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Gracilisn/aNABrondz and Olsen 1991
ProkaryotaCampylobacter Fetusn/aNABrondz and Olsen 1991
ProkaryotaBacteroides Ureolyticusn/aNABrondz and Olsen 1991
ProkaryotaWolinella Succinogenesn/aNABrondz and Olsen 1991
ProkaryotaWolinella Curvan/aNABrondz and Olsen 1991
ProkaryotaWolinella Rectan/aNABrondz and Olsen 1991
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
EukaryotaLentinula EdodesnanaÇağlarırmak et al. 2007
EukaryotaPleurotus Sajor-cajunanaÇağlarırmak et al. 2007
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
ProkaryotaBacillus Subtilisantibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2018
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaSerratia Sp.NANAEtminani et al. 2022
ProkaryotaEnterobacter Sp.NANAEtminani et al. 2022
ProkaryotaPantoea Sp.NANAEtminani et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
ProkaryotaBacillus ToyonensisKoilybayeva et al. 2023
ProkaryotaBacillus AcidiproducensKoilybayeva et al. 2023
ProkaryotaBacillus CereusKoilybayeva et al. 2023
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas FluorescensMR-VP brothGS-MSno
ProkaryotaPseudomonas MonteiliiMR-VP brothGS-MSno
ProkaryotaPseudomonas PutidaMR-VP brothGS-MSno
ProkaryotaPseudomonas TaiwanensisMR-VP brothGS-MSno
ProkaryotaProteus VulgarisLB agarSPME, GC-MSno
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
ProkaryotaPrevotella Buccaen/an/ano
ProkaryotaPrevotella Orisn/an/ano
ProkaryotaPrevotella Oralisn/an/ano
ProkaryotaPrevotella Disiensn/an/ano
ProkaryotaPrevotella Veroralisn/an/ano
ProkaryotaPrevotella Heparinolyticusn/an/ano
ProkaryotaBacteroides Fragilisn/an/ano
ProkaryotaPorphyromonas Endodontalisn/an/ano
ProkaryotaBacteroides Gracilisn/an/ano
ProkaryotaCampylobacter Fetusn/an/ano
ProkaryotaBacteroides Ureolyticusn/an/ano
ProkaryotaWolinella Succinogenesn/an/ano
ProkaryotaWolinella Curvan/an/ano
ProkaryotaWolinella Rectan/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
EukaryotaLentinula EdodesnaGC/MSno
EukaryotaPleurotus Sajor-cajunaGC/MSno
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
ProkaryotaBacillus SubtilisLBSPME-GC-MSyes
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaSerratia Sp.nutrient agar (NA)GC–MSno
ProkaryotaEnterobacter Sp.nutrient agar (NA)GC–MSno
ProkaryotaPantoea Sp.nutrient agar (NA)GC–MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaEnterobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
ProkaryotaBacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno