Results for:
Species: Paenibacillus 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-propan-2-ylpyrazine

Mass-Spectra

Compound Details

Synonymous names
2-Isopropylpyrazine
29460-90-0
Isopropylpyrazine
2-propan-2-ylpyrazine
(1-Methylethyl)pyrazine
Pyrazine, (1-methylethyl)-
2-Isopropyl pyrazine
Pyrazine, 2-(1-methylethyl)-
14XE115G58
UNII-14XE115G58
EINECS 249-646-7
(1-methylethyl)-Pyrazine
2-(propan-2-yl)pyrazine
PYRAZINE, ISOPROPYL-
2-(1-Methylethyl)-Pyrazine
SCHEMBL681871
(1-Methylethyl)pyrazine, 9CI
2-Isopropylpyrazine, AldrichCPR
DTXSID5067471
FEMA NO. 3940
SCHEMBL18431878
SCHEMBL19661169
FEMA 3940
CHEBI:191898
2-ISOPROPYLPYRAZINE [FHFI]
AKOS006229986
DB-003282
NS00022001
A819924
W-106988
Q27251657
Microorganism:

Yes

IUPAC name2-propan-2-ylpyrazine
SMILESCC(C)C1=NC=CN=C1
InchiInChI=1S/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3
FormulaC7H10N2
PubChem ID34590
Molweight122.17
LogP1
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds heterocyclic compounds pyrazines nitrogen compounds
CHEBI-ID191898
Supernatural-IDSN0106633

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaPaenibacillus Polymyxan/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaPaenibacillus Polymyxacollection TU GrazRybakova et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaPaenibacillus Polymyxan/an/ano
ProkaryotaPaenibacillus PolymyxaGC-MS / SPMEno


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-(2-methylpropyl)pyrazine

Compound Details

Synonymous names
2-ISOBUTYLPYRAZINE
29460-92-2
2-(2-methylpropyl)pyrazine
Isobutylpyrazine
(2-Methylpropyl)pyrazine
Pyrazine, (2-methylpropyl)-
Pyrazine, 2-(2-methylpropyl)-
2-Isobutyl pyrazine
EINECS 249-647-2
2-Isobutyl-pyrazine
SCHEMBL510583
CHEMBL317788
SCHEMBL24317804
SCHEMBL25619094
DTXSID80183668
MFCD00156150
AKOS006227754
AC-16632
DB-068120
NS00050465
W-106987
Microorganism:

Yes

IUPAC name2-(2-methylpropyl)pyrazine
SMILESCC(C)CC1=NC=CN=C1
InchiInChI=1S/C8H12N2/c1-7(2)5-8-6-9-3-4-10-8/h3-4,6-7H,5H2,1-2H3
FormulaC8H12N2
PubChem ID34591
Molweight136.19
LogP1.5
Atoms10
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds pyrazines heterocyclic compounds
Supernatural-IDSN0444928

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus Polymyxan/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus Polymyxan/an/ano


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-but-1-en-2-yl-5-propan-2-ylpyrazine

Compound Details

Synonymous names
2-isopropyl-5-buten-2-yl-pyrazine
Microorganism:

Yes

IUPAC name2-but-1-en-2-yl-5-propan-2-ylpyrazine
SMILESCCC(=C)C1=NC=C(N=C1)C(C)C
InchiInChI=1S/C11H16N2/c1-5-9(4)11-7-12-10(6-13-11)8(2)3/h6-8H,4-5H2,1-3H3
FormulaC11H16N2
PubChem ID129866837
Molweight176.26
LogP2.8
Atoms13
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds pyrazines ethers heterocyclic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus Polymyxan/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus Polymyxan/an/ano
ProkaryotaChondromyces Crocatusn/an/ano


2-pentylfuran

Mass-Spectra

Compound Details

Synonymous names
2-PENTYLFURAN
3777-69-3
2-Amylfuran
2-n-Pentylfuran
Furan, 2-pentyl-
Furan, pentyl-
PENTYLFURAN
FEMA No. 3317
6I0QAJ1JZQ
DTXSID9047679
CHEBI:89197
64079-01-2
2-Pentylfuran (natural)
2-(N-Pentyl)furan
EINECS 223-234-7
UNII-6I0QAJ1JZQ
BRN 0107854
2-pentylfurane
CCRIS 8807
2-pentyl-furan
2-Pentylfuran; 2-Amylfuran; 2-n-Pentylfuran; Dihydro-5-pentyl-2(hydro)-furan
Furane, 2-pentyl
MFCD00036497
AMYLFURAN
5-17-01-00390 (Beilstein Handbook Reference)
2-Amylfuran; 2-Pentyl furan
2-PENTYLFURAN [FHFI]
Amyl furan (2-Pentyl furan)
SCHEMBL221257
CHEMBL3182720
DTXCID7027679
2-Pentylfuran, >=98%, FG
FEMA 3317
2-Pentylfuran, analytical standard
HY-N7398
Tox21_303542
s9334
AKOS015913798
SB61015
NCGC00257337-01
BS-22948
PD144438
CAS-3777-69-3
DB-003325
CS-0119428
NS00011970
P1209
2-Pentylfuran 100 microg/mL in Acetonitrile
2-Pentylfuran, natural (US), >=97%, FG
H11330
EN300-7399562
A823863
W-106514
Q27161382
Z1255423587
Microorganism:

Yes

IUPAC name2-pentylfuran
SMILESCCCCCC1=CC=CO1
InchiInChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
FormulaC9H14O
PubChem ID19602
Molweight138.21
LogP3.7
Atoms10
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds furan derivatives
CHEBI-ID89197
Supernatural-IDSN0461056

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAHewett et al. 2020
EukaryotaAspergillus Versicolorwild strainsSchleibinger et al. 2005
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
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
EukaryotaTrichoderma VirideNAMoisan et al. 2021
EukaryotaTrichoderma Asperellumreduce downy mildew severity on Vitis vinifera (grapevine plants)Cotxarrera et al., 2002Lazazzara et al. 2021
EukaryotaTrichoderma Atroviridereduce downy mildew severity on Vitis vinifera (grapevine plants)Pertot et al., 2008Lazazzara et al. 2021
EukaryotaTrichoderma Harzianumreduce downy mildew severity on Vitis vinifera (grapevine plants)Eladet al., 1997Lazazzara et al. 2021
EukaryotaTrichoderma VirideNAHung et al. 2013
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/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
EukaryotaLaccaria Bicolorn/aNAMueller et al. 2013
EukaryotaPaxillus Involutusn/aNAMueller et al. 2013
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaFomitopsis PinicolanaGermanyRösecke et al. 2000
EukaryotaTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al. 2000
EukaryotaTuber AestivumnaTarsul (as normal forest); Daix (man made orchard)Molinier et al. 2015
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
EukaryotaTrichoderma AtrovirideNAStoppacher et al. 2010
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaLentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBSPME/GC-MSno
EukaryotaAspergillus Versicoloringrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaTrichoderma Viride1/5th PDA mediumGC-MSno
EukaryotaTrichoderma AsperellumPDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma AtroviridePDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma HarzianumPDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
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 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
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaVerticillium LongisporumMelin-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
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaFomitopsis PinicolanaGC/MSno
EukaryotaTrametes SuaveolensnaGC/MSno
EukaryotaTuber AestivumnaSPME-GC/MSno
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno


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-methyl-6-propan-2-ylpyrazine

Compound Details

Synonymous names
2-Isopropyl-6-methylpyrazine
24541-74-0
Pyrazine, 2-methyl-6-(1-methylethyl)-
2-methyl-6-propan-2-ylpyrazine
2-Methyl-6-(propan-2-yl)pyrazine
2-METHYL-6-ISOPROPYLPYRAZINE
SCHEMBL1162069
DTXSID60566970
QSLRSJBWLFFNIS-UHFFFAOYSA-N
AKOS006370976
Microorganism:

Yes

IUPAC name2-methyl-6-propan-2-ylpyrazine
SMILESCC1=CN=CC(=N1)C(C)C
InchiInChI=1S/C8H12N2/c1-6(2)8-5-9-4-7(3)10-8/h4-6H,1-3H3
FormulaC8H12N2
PubChem ID15014537
Molweight136.19
LogP1.3
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds heterocyclic compounds pyrazines nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaPaenibacillus Polymyxan/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNADickschat et al. 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaPaenibacillus Polymyxan/an/ano


2-(2-methylpropyl)-5-propan-2-ylpyrazine

Compound Details

Synonymous names
68290-70-0
2-Isobutyl-5-isopropylpyrazine
2-Isopropyl-5-isobutylpyrazine
2-(2-methylpropyl)-5-propan-2-ylpyrazine
SCHEMBL14580444
DTXSID80508099
CHEBI:215256
UHVOUUJPLVBJAV-UHFFFAOYSA-N
DB-289024
2-(2-Methylpropyl)-5-(propan-2-yl)pyrazine
Pyrazine, 2-(1-methylethyl)-5-(2-methylpropyl)-
Microorganism:

Yes

IUPAC name2-(2-methylpropyl)-5-propan-2-ylpyrazine
SMILESCC(C)CC1=CN=C(C=N1)C(C)C
InchiInChI=1S/C11H18N2/c1-8(2)5-10-6-13-11(7-12-10)9(3)4/h6-9H,5H2,1-4H3
FormulaC11H18N2
PubChem ID12722503
Molweight178.27
LogP2.6
Atoms13
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds heterocyclic compounds pyrazines nitrogen compounds
CHEBI-ID215256
Supernatural-IDSN0370871

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus Polymyxan/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus Polymyxan/an/ano
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaNannocystis Exedensn/an/ano


2,6-di(propan-2-yl)pyrazine

Compound Details

Synonymous names
2,6-diisopropylpyrazine
222048-85-3
SCHEMBL1106488
NYAIYYVTRTULIS-UHFFFAOYSA-N
Pyrazine, 2,6-bis(1-methylethyl)-
AKOS006373683
DB-289035
Microorganism:

Yes

IUPAC name2,6-di(propan-2-yl)pyrazine
SMILESCC(C)C1=CN=CC(=N1)C(C)C
InchiInChI=1S/C10H16N2/c1-7(2)9-5-11-6-10(12-9)8(3)4/h5-8H,1-4H3
FormulaC10H16N2
PubChem ID21037377
Molweight164.25
LogP2.1
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds heterocyclic compounds pyrazines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaChondromyces Crocatusn/aNADickschat et al. 2005_6
ProkaryotaPaenibacillus Polymyxan/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaPaenibacillus Polymyxan/an/ano


2-methyl-5-(2-methylpropyl)pyrazine

Compound Details

Synonymous names
2-Methyl-5-isobutylpyrazine
29461-05-0
SCHEMBL10182085
DTXSID80555205
IZEBGMNIMQBAJR-UHFFFAOYSA-N
2-Methyl-5-(2-methylpropyl)pyrazine
Microorganism:

Yes

IUPAC name2-methyl-5-(2-methylpropyl)pyrazine
SMILESCC1=CN=C(C=N1)CC(C)C
InchiInChI=1S/C9H14N2/c1-7(2)4-9-6-10-8(3)5-11-9/h5-7H,4H2,1-3H3
FormulaC9H14N2
PubChem ID14061124
Molweight150.22
LogP1.8
Atoms11
Bonds2
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 Polymyxan/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus Polymyxan/an/ano


2,5-bis(2-methylpropyl)pyrazine

Compound Details

Synonymous names
2,5-Diisobutylpyrazine
2,5-bis(2-methylpropyl)pyrazine
2,5-Diisobutyl-pyrazine
65032-04-4
SCHEMBL6466753
DTXSID60508097
CHEBI:225759
AKOS006373981
InChI=1/C12H20N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h7-10H,5-6H2,1-4H
Microorganism:

Yes

IUPAC name2,5-bis(2-methylpropyl)pyrazine
SMILESCC(C)CC1=CN=C(C=N1)CC(C)C
InchiInChI=1S/C12H20N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h7-10H,5-6H2,1-4H3
FormulaC12H20N2
PubChem ID12722500
Molweight192.3
LogP3
Atoms14
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds heterocyclic compounds pyrazines
CHEBI-ID225759
Supernatural-IDSN0418978

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaPaenibacillus Polymyxan/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaPaenibacillus Polymyxan/an/ano


2,5-di(propan-2-yl)pyrazine

Compound Details

Synonymous names
2,5-diisopropylpyrazine
24294-83-5
2,5-di(propan-2-yl)pyrazine
2,5-Diisopropyl-pyrazine
2,5-bis(propan-2-yl)pyrazine
SCHEMBL5950443
CHEBI:199215
LXJYUERPFWUCNN-UHFFFAOYSA-N
AKOS006370977
AB93060
CS-0449966
InChI=1/C10H16N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h5-8H,1-4H
Microorganism:

Yes

IUPAC name2,5-di(propan-2-yl)pyrazine
SMILESCC(C)C1=CN=C(C=N1)C(C)C
InchiInChI=1S/C10H16N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h5-8H,1-4H3
FormulaC10H16N2
PubChem ID11491990
Molweight164.25
LogP2.1
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds heterocyclic compounds pyrazines
CHEBI-ID199215
Supernatural-IDSN0218015

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaAlgihabitans Albusisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaChondromyces CrocatusIs an attractant of Carpophilus beetles.NASchulz et al. 2004
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
ProkaryotaChondromyces Crocatusn/aNADickschat et al. 2005_6
ProkaryotaPaenibacillus PolymyxaThis compound is an attractant of the pineapple beetle Carpophilus humeralis.NASchulz and Dickschat 2007
ProkaryotaChondromyces CrocatusThis compound is an attractant of the pineapple beetle Carpophilus humeralis.NASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno
ProkaryotaAlgihabitans Albusmarine broth agarOSSA/GC-MSno
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaPaenibacillus Polymyxan/an/ano


2,6-bis(2-methylpropyl)pyrazine

Compound Details

Synonymous names
2,6-Bis(2-methylpropyl)pyrazine
2,6-Diisobutylpyrazine
Pyrazine, 2,6-bis(2-methylpropyl)-
595605-20-2
2,6-Diisobutylpyrazine #
SCHEMBL2718827
WEKSWAFOTVHVQR-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name2,6-bis(2-methylpropyl)pyrazine
SMILESCC(C)CC1=CN=CC(=N1)CC(C)C
InchiInChI=1S/C12H20N2/c1-9(2)5-11-7-13-8-12(14-11)6-10(3)4/h7-10H,5-6H2,1-4H3
FormulaC12H20N2
PubChem ID591525
Molweight192.3
LogP3
Atoms14
Bonds4
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 Polymyxan/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus Polymyxan/an/ano


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-(2-methylpropyl)pyrazine

Mass-Spectra

Compound Details

Synonymous names
2,5-dimethyl-3-(2-methylpropyl)pyrazine
32736-94-0
2,5-Dimethyl-3-isobutylpyrazine
Pyrazine, 2,5-dimethyl-3-(2-methylpropyl)-
Pyrazine, 3-isobutyl-2,5-dimethyl-
2-Isobutyl-3,6-dimethyl-pyrazine
2,5-Dimethyl-6-isobutylpyrazine
FEMA No. 4100, 3,6-dimethyl-
UNII-17J126RD59
3-(2-Methylpropyl)-2,5-dimethylpyrazine
17J126RD59
3-Isobutyl-2,5-dimethylpyrazine
SCHEMBL3458549
3,6-Dimethyl-2-isobutylpyrazine
DTXSID30186407
CHEBI:207389
KEJOEQXAEQCAKT-UHFFFAOYSA-N
DB-116488
NS00113883
Q27251914
Microorganism:

Yes

IUPAC name2,5-dimethyl-3-(2-methylpropyl)pyrazine
SMILESCC1=CN=C(C(=N1)CC(C)C)C
InchiInChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3
FormulaC10H16N2
PubChem ID520585
Molweight164.25
LogP2.2
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds heterocyclic compounds pyrazines
CHEBI-ID207389
Supernatural-IDSN0183371

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSulfitobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaSulfitobacter Pontiacusn/aNADickschat et al. 2005_6
ProkaryotaPaenibacillus Polymyxan/aNADickschat et al. 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSulfitobacter Sp.n/an/ano
ProkaryotaSulfitobacter Pontiacusn/an/ano
ProkaryotaPaenibacillus Polymyxan/an/ano