Results for:
Species: Bacillus mycoides

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-phenylacetaldehyde

Mass-Spectra

Compound Details

Synonymous names
phenylacetaldehyde
2-phenylacetaldehyde
122-78-1
Benzeneacetaldehyde
Hyacinthin
Phenylethanal
alpha-Tolualdehyde
2-Phenylethanal
Phenylacetic aldehyde
Oxophenylethane
alpha-Toluic aldehyde
Acetaldehyde, phenyl-
Benzylcarboxaldehyde
1-Oxo-2-phenylethane
Phenacetaldehyde
phenyl acetaldehyde
phenyl-Acetaldehyde
.alpha.-Tolualdehyde
Benzacetaldehyde
Phenylacetaldehyde (natural)
alpha-Phenylacetaldehyde
Benzenacetaldehyde
.alpha.-Toluic aldehyde
FEMA No. 2974
UNII-U8J5PLW9MR
NSC 406309
U8J5PLW9MR
EINECS 204-574-5
alpha-Tolyaldehyde
Acetaldehyde, phenyl- (8CI)
DTXSID3021483
CHEBI:16424
AI3-02175
NSC-406309
a-Tolyaldehyde
DTXCID501483
FEMA NO. 2874
CAS-122-78-1
benzeneethanal
a-Tolualdehyde
2-phenylethanone
a-toluic aldehyde
Phenylacetoaldehyde
benzene acetaldehyde
a-Phenylacetaldehyde
2-phenyl-acetaldehyde
bmse000427
NCIOpen2_003602
Phenylacetaldehyde, >=90%
SCHEMBL18972
PHENYLACETALDEHYDE [MI]
PHENYLACETALDEHYDE [FCC]
CHEMBL1233464
PHENYLACETALDEHYDE [FHFI]
STR00412
Tox21_201582
Tox21_302945
MFCD00006993
NSC406309
s9357
AKOS000119316
CCG-266073
CS-W011205
DB02178
HY-W010489
MCULE-3725701027
Phenylacetaldehyde, >=95%, FCC, FG
NCGC00249076-01
NCGC00256522-01
NCGC00259131-01
DB-041686
NS00013128
P0119
EN300-18996
C00601
D78329
10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1
A804962
Q424998
doi:10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1
Q-201558
F2190-0653
Z104472146
D60A2590-0A65-4BA8-A05B-D8423408535C
InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H
Microorganism:

Yes

IUPAC name2-phenylacetaldehyde
SMILESC1=CC=C(C=C1)CC=O
InchiInChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
FormulaC8H8O
PubChem ID998
Molweight120.15
LogP1.8
Atoms9
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aldehydes aromatic compounds
CHEBI-ID16424
Supernatural-IDSN0075259

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAKunze et al. 2013
ProkaryotaPseudomonas AeruginosaNANAKunze et al. 2013
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
ProkaryotaAcinetobacter RadioresistensNATimm et al. 2018
ProkaryotaStaphylococcus EpidermidisNATimm et al. 2018
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
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
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
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaBacillus Cereuspromote fungal hypocrellin A production in Shiraia sp. S9isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
EukaryotaBotrytis Sp.NAKikuchi et al. 1983
EukaryotaFusarium Sp.NATakeuchi et al. 2012
EukaryotaAspergillus Sp.NASeifert and King 1982
EukaryotaGanoderma ApplanatumNAZiegenbein et al. 2010
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
ProkaryotaStenotrophomonas MaltophiliaReduction 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
ProkaryotaStaphylococcus Xylosusn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaArthrobacter Globiformisn/aNASchulz and Dickschat 2007
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
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
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
EukaryotaFomitopsis PinicolanaGermanyRösecke et al. 2000
EukaryotaTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al. 2000
EukaryotaPleurotus EryngiinanaUsami et al. 2014
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
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
EukaryotaMeyerozyma GuilliermondiiXiong 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 ColiLBMCC-IMSno
ProkaryotaPseudomonas AeruginosaLBMCC-IMSno
EukaryotaCandida ParapsilosisTSBSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaAcinetobacter RadioresistensTSASPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisMOPS glucose+EZSPME, GC-MSno
ProkaryotaPseudomonas Sp.LB 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
EukaryotaTuber MagnatumGC-MS-Ono
ProkaryotaStaphylococcus EpidermidisBHI media, LB media, MHB media, TSB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSyes
EukaryotaBotrytis Sp.no
EukaryotaFusarium Sp.no
EukaryotaAspergillus Sp.no
EukaryotaGanoderma Applanatumno
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaStaphylococcus Xylosusn/an/ano
ProkaryotaLactococcus Sp.n/an/ano
ProkaryotaArthrobacter Globiformisn/an/ano
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaArthrobacter Nitroguajacolicusn/an/ano
ProkaryotaLysobacter Gummosusn/an/ano
ProkaryotaSporosarcina Ginsengisolin/an/ano
EukaryotaTuber Aestivumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
ProkaryotaBurkholderia GraminisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
EukaryotaFomitopsis PinicolanaGC/MSno
EukaryotaTrametes SuaveolensnaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaTuber MelanosporumNoneNoneyes
EukaryotaTuber IndicumNoneNoneyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF 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
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
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


2,5-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names
2,5-DIMETHYLPYRAZINE
123-32-0
2,5-Dimethyl pyrazine
Pyrazine, 2,5-dimethyl-
2,5-Dimethyl-1,4-diazine
2,5-Dimethylpiazine
2,5-Dimethylparadiazine
NSC 49139
FEMA No. 3272
2,5-Dimethyl-pyrazine
V99Y0MUY1Q
PYRAZINE,2,5-DIMETHYL
CHEBI:89762
MFCD00006147
NSC-49139
CCRIS 2929
2,5-Dimethylpyrazine (natural)
EINECS 204-618-3
UNII-V99Y0MUY1Q
Ketine
AI3-60303
2.5-dimethylpyrazine
2, 5-Dimethylpyrazine
pyrazine, 2,5-dimethyl
SCHEMBL82304
2,5-Dimethylpyrazine, 98%
CHEMBL94709
DTXSID6047652
FEMA 3272
WLN: T6N DNJ B1 E1
2,5 and 2,6-dimethyl pyrazine
AMY23196
BCP08618
NSC49139
2,5-DIMETHYLPYRAZINE [FCC]
2,5-DIMETHYLPYRAZINE [FHFI]
2,5-Dimethylpyrazine, >=98%, FG
AKOS003368403
CS-W019957
MCULE-2763393473
NCGC00184236-01
NCGC00184236-02
2,5-Dimethylpyrazine, analytical standard
AC-10703
AS-17251
HY-34439
DB-003236
2,5-Dimethylpyrazine (contains 2,6-isomer)
D1526
D2171
NS00012335
S3108
EN300-20206
2,5-dimethylpyrazine and 2,6-dimethylpyrazine
P19770
A805045
Q-100107
Q27161950
F0001-0364
Z104477264
InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H
25R
Microorganism:

Yes

IUPAC name2,5-dimethylpyrazine
SMILESCC1=CN=C(C=N1)C
InchiInChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
FormulaC6H8N2
PubChem ID31252
Molweight108.14
LogP0.6
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds pyrazines heterocyclic compounds
CHEBI-ID89762
Supernatural-IDSN0202167

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAAhmed et al. 2023
ProkaryotaKlebsiella PneumoniaeNANAAhmed et al. 2023
ProkaryotaPseudomonas AeruginosaNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
ProkaryotaAcinetobacter BaumanniiNANAGao et al. 2016
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaPseudomonas Putidainhibitory activity against oomycete and fungal pathogens, antibacterial activity against R. pseudosolanacearum, dimethyl trisulphide nematicidal activity against R. similis, effect against Phytophthora rot on black pepper shoot cuttingsBlack pepper rootAgisha et al. 2019
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
ProkaryotaBacillus Pumilusantifungal 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 Amyloliquefaciensantifungal 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 SubtilisZhang et al. 2021
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 Toyonensisisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Mycoidesisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Fonticolaisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Myotisisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaPseudomonas Azotoformansisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaPseudomonas AeruginosaLeibnitz 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
ProkaryotaLysobacter Capsiciantifungal activity against the growth of Pythium ultimum, Rhizoctonia solani and Sclerotinia minorNAVlassi et al. 2020
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia SympodialisFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
ProkaryotaBacillus Cereuspromote fungal hypocrellin A production in Shiraia sp. S9isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
ProkaryotaBacillus Sp.n/aNAZou et al. 2007
ProkaryotaStenotrophomonas Maltophilian/aNAZou et al. 2007
ProkaryotaAlcaligenes Faecalisn/aNAZou et al. 2007
ProkaryotaArthrobacter Nitroguajacolicusn/aNAZou et al. 2007
ProkaryotaLysobacter Gummosusn/aNAZou et al. 2007
ProkaryotaSporosarcina Ginsengisolin/aNAZou et al. 2007
ProkaryotaCytophaga-Flavobacteria-Bacteroides GroupIt is involved in fruit fly attraction to bacteria.NASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaOctadecabacter Sp.n/aNADickschat et al. 2005_3
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al. 2013
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaEnterobacter AgglomeransNARobacker and Lauzon 2002
ProkaryotaStaphylococcus AureusNARobacker and Flath 1995
EukaryotaFusarium Sp.NADickschat 2017
EukaryotaAspergillus Sp.NADickschat 2017
ProkaryotaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al. 2011
ProkaryotaArthrobacter Agilisnarhizosphere of maize plantsVelázquez-Becerra et al. 2011
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Chlororaphisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fluorescensnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere 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
ProkaryotaPseudomonas AeruginosananaBriard et al. 2016
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaPseudomonas Putidanablack pepper rootSheoran et al. 2015
ProkaryotaPseudomonas Putidapositive influence of the plant root growth and protection against soil-borne pathogensNASheoran et al. 2015
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
ProkaryotaBacillus SubtilisNANALee et al. 2023
ProkaryotaCitrobacter FreundiiTallon et al. 2023
ProkaryotaEnterobacter AgglomeransTallon et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiNBTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeNBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaNBTD/GC-MSno
ProkaryotaStaphylococcus AureusNBTD/GC-MSno
ProkaryotaAcinetobacter BaumanniiBacT/ALERT SASPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaPseudomonas PutidaLuria Bertani Agarhead space GC/MSno
ProkaryotaBacillus MuralisNA mediaSPME/GC-MSyes
ProkaryotaBacillus PumilusNA mediaSPME/GC-MSyes
ProkaryotaNovosphingobium LindaniclasticumNA mediaSPME/GC-MSyes
ProkaryotaBacillus SubtilisNA mediaSPME/GC-MSyes
ProkaryotaBacillus AmyloliquefaciensNA mediaSPME/GC-MSyes
ProkaryotaBacillus MegateriumNA mediaSPME/GC-MSyes
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaBacillus AmyloliquefaciensTSB mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisTSB mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesTSB mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaTSB mediaSPME/GC-MSno
ProkaryotaSerratia MyotisTSB mediaSPME/GC-MSno
ProkaryotaPseudomonas AzotoformansTSB mediaSPME/GC-MSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaLysobacter CapsiciNA-mediaGC-MSyes
ProkaryotaStaphylococcus AureusBHI media, LB media, TSB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus EpidermidisBHI media, LB media, MHB media, TSB mediaHS-SPME/GC×GC-TOFMSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSno
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
ProkaryotaCytophaga-Flavobacteria-Bacteroides Groupn/an/ano
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaOctadecabacter Sp.n/an/ano
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
ProkaryotaEnterobacter Agglomeransno
ProkaryotaStaphylococcus Aureusno
EukaryotaFusarium Sp.no
EukaryotaAspergillus Sp.no
ProkaryotaStaphylococcus Sciuri875 liquid mediumSPME-GC/MSno
ProkaryotaArthrobacter AgilisNA mediumSPME-GC/MSno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
ProkaryotaPseudomonas Aeruginosaminimal medium/ Brian mediumSPME-GC/MSno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaPseudomonas PutidaLuria Bertani AgarHeadspace GC/MSno
ProkaryotaPseudomonas PutidaTSBPropak Q adsorbent trap/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 Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus Atrophaeustryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisMOLPHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
ProkaryotaCitrobacter Freundiitryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaEnterobacter Agglomeranstryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaSPME/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


2,3,5-trimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names
2,3,5-Trimethylpyrazine
14667-55-1
TRIMETHYLPYRAZINE
Pyrazine, trimethyl-
Pyrazine, 2,3,5-trimethyl-
2,3,5-Trimethyl pyrazine
2,3,6-Trimethylpyrazine
FEMA No. 3244
Q8PR0W8TIT
2,3,5-Trimethyl-pyrazine
Pyrazine, 2,3,5-trimethyl
DTXSID1047075
CCRIS 2932
trimethyl pyrazine
EINECS 238-712-0
UNII-Q8PR0W8TIT
2,3,5-Trimethyl pyrazine (natural)
BRN 0002423
AI3-34442
SCHEMBL107646
CHEMBL320146
DTXCID9027075
FEMA 3244
2,3,5-Trimethylpyrazine, 99%
CHEBI:190131
AMY23186
Tox21_302314
MFCD00006145
AKOS015842577
CS-W011192
HY-W010476
MCULE-8809596878
2,3,5-TRIMETHYLPYRAZINE [FCC]
2,3,5-TRIMETHYLPYRAZINE [FHFI]
NCGC00256135-01
AC-10654
PD158279
CAS-14667-55-1
DB-003800
NS00013306
T0942
2,3,5-Trimethylpyrazine, analytical standard
2,3,5-Trimethylpyrazine, >=99%, FCC, FG
EN300-201680
2,3,5-Trimethylpyrazine, natural, >=95%, FG
Q-100171
Q21099097
InChI=1/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H
Microorganism:

Yes

IUPAC name2,3,5-trimethylpyrazine
SMILESCC1=CN=C(C(=N1)C)C
InchiInChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
FormulaC7H10N2
PubChem ID26808
Molweight122.17
LogP1
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds pyrazines heterocyclic compounds
CHEBI-ID190131
Supernatural-IDSN0140200

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEnterobacter CloacaeNANAJünger et al. 2012
ProkaryotaEscherichia ColiNANAJünger et al. 2012
ProkaryotaSerratia MarcescensNANAJünger et al. 2012
ProkaryotaBacillus AcidicelerNAMéndez-Bravo et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
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
ProkaryotaSerratia Fonticolaisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaPseudomonas AeruginosaLeibnitz 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
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
EukaryotaDebaryomyces Hanseniiinhibitory 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
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
ProkaryotaCytophaga-Flavobacteria-Bacteroides GroupIt is involved in fruit fly attraction to bacteria.NASchulz and Dickschat 2007
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
ProkaryotaBacillus Simplexn/aNAGu et al. 2007
ProkaryotaBacillus Subtilisn/aNAGu et al. 2007
ProkaryotaBacillus Weihenstephanensisn/aNAGu et al. 2007
ProkaryotaMicrobacterium Oxydansn/aNAGu et al. 2007
ProkaryotaStenotrophomonas Maltophilian/aNAGu et al. 2007
ProkaryotaStreptomyces Lateritiusn/aNAGu et al. 2007
ProkaryotaSerratia Marcescensn/aNAGu et al. 2007
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al. 2013
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaEnterobacter AgglomeransNARobacker and Lauzon 2002
EukaryotaFusarium Sp.NADickschat 2017
EukaryotaAspergillus Sp.NADickschat 2017
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Chlororaphisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fluorescensnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere 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
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
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
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEnterobacter CloacaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaEscherichia ColiColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaSerratia MarcescensColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaBacillus AcidicelerLB agarSPME / GS-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaSerratia FonticolaTSB mediaSPME/GC-MSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusBHI media, LB media, TSB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus EpidermidisBHI media, LB media, TSB mediaHS-SPME/GC×GC-TOFMSno
EukaryotaDebaryomyces Hanseniiartificial nectar mediaGC-MSno
EukaryotaGoffeauzyma Gilvescensartificial nectar mediaGC-MSno
ProkaryotaCytophaga-Flavobacteria-Bacteroides Groupn/an/ano
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
ProkaryotaEnterobacter Agglomeransno
EukaryotaFusarium Sp.no
EukaryotaAspergillus Sp.no
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
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 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 Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus Atrophaeustryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisMOLPHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


Compound Details

Synonymous names
phenol
108-95-2
carbolic acid
Hydroxybenzene
Phenic acid
Oxybenzene
Benzenol
Phenylic acid
Phenylic alcohol
Monophenol
Phenyl hydrate
Phenyl hydroxide
PhOH
Monohydroxybenzene
Paoscle
Phenole
Izal
Phenyl alcohol
Phenol alcohol
Acide carbolique
Phenol, liquefied
Fenolo
Carbolsaure
Phenosmolin
Fenol
Liquid phenol
Phenol, pure
Benzene, hydroxy-
Rcra waste number U188
Liquefied phenol
Liquified Phenol
Carbolicum acidum
Fenolo [Italian]
NCI-C50124
Phenole [German]
Campho-Phenique Gel
phenylalcohol
UN 2312 (molten)
Phenol [JAN]
UN 1671 (solid)
Phenic
Carbolsaure [German]
Caswell No. 649
Campho-Phenique Liquid
Phenol, molten
2-allphenol
Baker's P & S liquid & Ointment
Fenol [Dutch, Polish]
NSC 36808
Phenol, liquified
Baker's P and S Liquid and Ointment
Monohydroxy benzene
Acide carbolique [French]
CCRIS 504
Campho-Phenique Cold Sore Gel
Carbolsaeure
FEMA No. 3223
Karbolsaeure
HSDB 113
Phenoxy
acide phenique
DTXSID5021124
Phenic alcohol
Phenol,liquified
Synthetic phenol
Phenol, dimer
AI3-01814
RCRA waste no. U188
EINECS 203-632-7
UNII-339NCG44TV
MFCD00002143
NSC-36808
UN1671
UN2312
UN2821
EPA Pesticide Chemical Code 064001
339NCG44TV
CHEBI:15882
Phenol [USP:JAN]
ENT-1814
27073-41-2
CHEMBL14060
DTXCID501124
EC 203-632-7
NSC36808
Phenol, Glass Distilled Under Argon
65996-83-0
Phenol, solid [UN1671] [Poison]
Phenol (USP:JAN)
Phenol, molten [UN2312] [Poison]
NCGC00091454-04
Fenosmoline
Fenosmolin
PHENOL (IARC)
PHENOL [IARC]
PHENOL (USP-RS)
PHENOL [USP-RS]
PHENOL (II)
PHENOL [II]
PHENOL (MART.)
PHENOL [MART.]
Phenol, >=99.0%
17442-59-0
PHENOL (EP MONOGRAPH)
PHENOL [EP MONOGRAPH]
PHENOL (USP MONOGRAPH)
PHENOL [USP MONOGRAPH]
Phen-2,4,6-d3-ol-d
Carbol
hydroxy benzene
Phenol 100 microg/mL in Methanol
Phenol, liquid
Phenol, solid
Baker's p and s
Phenol, sulfurated
CAS-108-95-2
METACRESOL IMPURITY A (EP IMPURITY)
METACRESOL IMPURITY A [EP IMPURITY]
(14C)Phenol
HEXYLRESORCINOL IMPURITY A (EP IMPURITY)
HEXYLRESORCINOL IMPURITY A [EP IMPURITY]
PHENOL (2,3,4,5,6-D5)
arenols
Benzophenol
Karbolsaure
Phylorinol
Ulcerease
Hydroxy-benzene
Phenol liquid
Phenol molten
Fungus Fighte
Phenol synthetic
Pandy's reagent
Cepastat lozenges
Fortinia ID
Phenol, labeled with carbon-14
Acidum Carbolicum
Phenol (liquid)
2-phenyl alcohol
Sore ThroatCherry
Phenol, synthetic
Phenol, ultrapure
ABC Sore Throat
HEB Sore Throat
Phenol ACS grade
RugbyCherry Flavor
Sore ThroatMenthol
Sore Throat Spray
Meijer Sore Throat
Sore Throat Cherry
Sore Throat Relief
Liquefied phenol BP
Paoscle (TN)
Topcare Sore Throat
Carbolic acid liquid
Phenol (TN)
Phenol,(S)
TopCareCherry Flavor
Phenol, ACS reagent
PUBLIX Sore Throat
Carbolic acid, liquid
CepastatExtra Strength
Walgreens Sore Throat
63496-48-0
Sore ThroatReadyInCase
Vortex Moisturizer Oral
1ai7
1li2
4i7l
Liquefied phenol (TN)
DRx Choice Sore Throat
PHENOL [VANDF]
Wild Horse 777 Oral
PHENOL [FHFI]
PHENOL [HSDB]
PHENOL [INCI]
Sore Throat ReliefCherry
Castellani Paint 1.5%
Phenol (JP17/USP)
PHENOL [WHO-DD]
Phenol, detached crystals
Pain RelievingPetro Carbo
PHENOL [MI]
Phenol, >=99%
Sore Throat ReliefMenthol
WLN: QR
Good Neighbor Sore Throat
Liquefied phenol (JP17)
bmse000290
bmse010026
C6H5OH
Fenol(DUTCH, POLISH)
NICE SORE THROAT Cherry
PHENOL, 80% in ethanol
Phenol, LR, >=99%
HEB Sore ThroatCherry Flavor
MLS001065591
Phenol (CGA 73330)
Phenol, for molecular biology
BIDD:ER0293
Phenol for disinfection (TN)
ABC Sore ThroatMenthol Flavor
HEB Sore ThroatMenthol Flavor
NICE SORE THROAT Spearmint
Phenol, natural, 97%, FG
CHLORASEPTIC SORE THROAT
Chloraseptic Sore Throat Cherry
Chloraseptic Sore Throat Citrus
Cuticura pain relieving ointment
Sore Throat ReliefCherry Flavor
CARBOLICUM ACIDUM [HPUS]
DTXSID9075294
Phenol, AR, >=99.5%
PHENOL,LIQUIFIED [VANDF]
BDBM26187
CHEBI:33853
Phenol for disinfection (JP17)
Topcare Sore ThroatMenthol Flavor
3f39
Phenol 10 microg/mL in Methanol
PUBLIX Sore ThroatMenthol Flavor
Walgreens Sore ThroatCherry Flavor
phenol 0.6% anesthetic oral rinse
Tox21_113463
Tox21_201639
Tox21_300042
DRx Choice Sore ThroatMenthol Flavor
Phenol 5000 microg/mL in Methanol
STL194294
AKOS000119025
Eos Medicated Pain Relieving Lip Balm
Tox21_113463_1
DB03255
Good Neighbor Sore ThroatCherry Flavor
MCULE-9943948107
NA 2821
Phenol, BioXtra, >=99.5% (GC)
Phenol, SAJ first grade, >=98.0%
UN 1671
UN 2312
UN 2821
USEPA/OPP Pesticide Code: 064001
NCGC00091454-01
NCGC00091454-02
NCGC00091454-03
NCGC00091454-05
NCGC00091454-06
NCGC00091454-07
NCGC00254019-01
NCGC00259188-01
Phenol, JIS special grade, >=99.0%
61788-41-8
73607-76-8
AM802906
BP-30160
METHYL SALICYLATE IMPURITY B [EP]
SMR000568492
Phenol 1000 microg/mL in Dichloromethane
Phenol, PESTANAL(R), analytical standard
Liquified Phenol (contains 7-10 % water)
NS00010045
P1610
P2771
EN300-19432
C00146
D00033
Phenol, unstabilized, ReagentPlus(R), >=99%
SALICYLIC ACID IMPURITY C [EP IMPURITY]
Phenol, p.a., ACS reagent, 99.5-100.5%
PUBLIX Sore Throat Fast Relief Oral Anesthetic
Q130336
CVS Health Sore Throat Fast Relief Oral Anesthetic
J-610001
Phenol, for molecular biology, ~90% (T), liquid
A13-01814
F1908-0106
Phenol, unstabilized, purified by redistillation, >=99%
Z104473830
InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7
Phenol, BioUltra, for molecular biology, >=99.5% (GC)
Phenol, United States Pharmacopeia (USP) Reference Standard
Liquified Phenol, meets USP testing specifications, >=89.0%
Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T)
phenol;phenol [jan];phenol, pure;phenol phenol [jan] phenol, pure
Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%
Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%
Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC)
Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached)
Microorganism:

Yes

IUPAC namephenol
SMILESC1=CC=C(C=C1)O
InchiInChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
FormulaC6H6O
PubChem ID996
Molweight94.11
LogP1.5
Atoms7
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds phenols benzenoids
CHEBI-ID15882
Supernatural-IDSN0154453

mVOC Specific Details

Boiling Point
DegreeReference
181.75 °C peer reviewed
Volatilization
The Henry's Law constant for phenol is 3.33X10-7 atm-cu m/mol at 25 deg C(1). This Henry's Law constant indicates that phenol is expected to be essentially nonvolatile from water surfaces(2). Phenols's Henry's Law constant indicates that volatilization from moist soil surfaces in not expected to occur(SRC). Phenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.35 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-23 (1987))(2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Bingham E et al, eds; Patty's Toxicology. 5th ed. NY, NY: John Wiley & Sons Inc. 4: 383 (2001)
Soil Adsorption
Phenol is reported to have low adsorptivity to clay soils and silt loam(1) and no adsorption to aquifer material(3) and montmorillonite and kaolinite clays(8). The Koc for phenol to a Batcombe silt loam soil (pH 6.7, organic carbon 2.51%) was 30(6). It was 16 for a Brookstone clay loam (pH 5.7, organic matter 5.1%) and varied with pH and iron content of the soil(7). The Freundlich K and (1/N) for phenol in Captina (pH 5.7, 1.1 % organic matter) and Palouse silt loam (pH 5.7, 3.6% organic matter) soils were 0.58 (1.15) and 0.81 (1.00)(2); the Koc values for these soils are 91 and 39(SRC). Based on the reported Koc values, phenol would be expected to generally exhibit very high mobility in soil, based on a classification scheme(4). In a study of the adsorption of phenol onto siltstone associated with a Wyoming coal deposit suitable for in situ gasification, the pH of the solution was the major controlling factor with adsorption occurring at pH's below the pKa of phenol and no adsorption occurring at pH's above the pKa(5). The log of the Freundlich K value was approximately -4(5). Therefore, phenol may be transported by groundwater near in situ coal gasification sites due to the elevated pH's at these sites after gasification(5). The pKa of phenol is 9.99(9), indicating that it will be partially dissociated at the upper end of environmental pH range and its mobility may be pH dependent(SRC). In general, anions generally do not adsorb to organic carbon and clay as strongly as their neutral counterparts(10).
Literature: (1) Artiola-Fortuny J, Fuller WH; Soil Sci 133: 18-26 (1982) (2) Scott HD et al; J Environ Qual 12: 91-5 (1983) (3) Ehrlich GG et al; Groundwater 20: 703-10 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Laquer FC, Manahan SE; Chemosphere 16: 1431-45 (1987) (6) Briggs GG; J Agric Food Chem 29: 1050-9 (1981) (7) Boyd SA et al; Appl Environ Microbiol 46: 50-4 (1983) (8) Luh MD, Baker RA; pp. 534-42 in Proc 25th Ind Waste Conf Purdue Univ (1970) (9) Lide DR, ed; CRC Handbook of Chemistry and Physics. 81st Ed. Boca Raton, FL: CRC Press LLC, p. 5-89 (2000) (10) 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
0.35 mm Hg @ 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaEnterobacter CloacaeNANAJünger et al. 2012
ProkaryotaEscherichia ColiNANAJünger et al. 2012
ProkaryotaSerratia MarcescensNANAJünger et al. 2012
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaPseudomonas AeruginosaLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
EukaryotaChaetomium IndicumNAMoisan et al. 2021
EukaryotaTrichoderma VirideNAMoisan et al. 2021
ProkaryotaPseudomonas Protegensinhibite the growth of Heterobasidion abietinum 10 and several fungi of different species (Basidiomycete, Ascomycete, Oomycota, Zygomycota)NAPrigigallo et al. 2021
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
ProkaryotaKlebsiella Pneumoniaen/aNASchulz and Dickschat 2007
ProkaryotaCitrobacter Freundiin/aNASchulz and Dickschat 2007
ProkaryotaCytophaga-Flavobacteria-Bacteroides Groupn/aNASchulz and Dickschat 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
ProkaryotaStenotrophomonas MaltophiliaReduction 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
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaPandoraea Norimbergensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Gladiolin/aNABlom et al. 2011
ProkaryotaBurkholderia Tropican/aNABlom et al. 2011
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
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
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
ProkaryotaBacillus SubtilisNANALee 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
ProkaryotaCitrobacter FreundiiTallon et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaEnterobacter CloacaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaEscherichia ColiColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaSerratia MarcescensColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSB mediaHS-SPME/GC-MSno
EukaryotaChaetomium Indicum1/5th PDA mediumGC-MSno
EukaryotaTrichoderma Viride1/5th PDA mediumGC-MSno
ProkaryotaPseudomonas ProtegensLB agar/PD agarGC-MSyes
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaen/an/ano
ProkaryotaCitrobacter Freundiin/an/ano
ProkaryotaCytophaga-Flavobacteria-Bacteroides Groupn/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
EukaryotaTuber Aestivumn/an/ano
ProkaryotaChromobacterium ViolaceumLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPandoraea NorimbergensisLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GladioliMR-VPHeadspace 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
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
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
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
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/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
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
ProkaryotaCitrobacter Freundiitryptone soya broth (TSB) mediaSPME/GC/MSno


1-phenylethanone

Mass-Spectra

Compound Details

Synonymous names
ACETOPHENONE
98-86-2
1-Phenylethanone
Methyl phenyl ketone
Phenyl methyl ketone
Acetylbenzene
Ethanone, 1-phenyl-
Hypnone
Benzoyl methide
Acetophenon
Acetylbenzol
1-phenylethan-1-one
1-Phenyl-1-ethanone
Benzoylmethide
Acetofenon
Benzene, acetyl-
Ketone, methyl phenyl
Phenylethanone
Hypnon
USAF EK-496
methylphenylketone
phenylmethylketone
RCRA waste number U004
1-phenyl-ethanone
Acetofenon [Czech]
Dymex
NSC 7635
FEMA No. 2009
FEMA Number 2009
CCRIS 1341
HSDB 969
AI3-00575
RCRA waste no. U004
EINECS 202-708-7
UNII-RK493WHV10
RK493WHV10
DTXSID6021828
CHEBI:27632
Ketone, methyl phenyl-
NSC-7635
Acetophenone-alpha-13C
Acetophenone-1,2-13C2
CHEMBL274467
DTXCID501828
EC 202-708-7
Ethanone-2,2,2-d3, 1-(phenyl-d5)-
ACETOPHENONE (II)
ACETOPHENONE [II]
Acetofenona
CAS-98-86-2
MFCD00064447
AC0
(2,2,2,-2H3)ACETOPHENONE
aceto phenone
aceto-phenone
acetyl-benzen
Acetyl-Benzene
alpha-Acetophenone
Ethanone,1-phenyl
methyl-phenyl ketone
Methyl phenyl-Ketone
nchem.180-comp5
Benzoyl methide hypnone
1-Phenylethanone, 9CI
ACETOPHENONE [MI]
SCHEMBL737
ACETOPHENONE [FCC]
bmse000286
ACETOPHENONE [FHFI]
ACETOPHENONE [HSDB]
ACETOPHENONE [INCI]
WLN: 1VR
Acetophenone, >=98%, FG
SCHEMBL8170205
1-Phenylethanone (acetophenone)
SCHEMBL13341485
Acetophenone, analytical standard
FEMA 2009
NSC7635
Acetophenone, >=98.0% (GC)
Acetophenone, natural, 98%, FG
HY-Y0989
STR00017
Tox21_202422
Tox21_300343
Acetophenone, ReagentPlus(R), 99%
BDBM50236986
c0117
MFCD00008724
s5528
AKOS000119011
CCG-266074
DB04619
MCULE-4710225344
USEPA/OPP Pesticide Code: 129033
NCGC00248000-01
NCGC00248000-02
NCGC00254370-01
NCGC00259971-01
SY073923
DB-044220
A0061
CS-0015982
NS00010659
EN300-18050
Acetophenone, puriss. p.a., >=99.0% (GC)
C07113
D71016
A854783
Q375112
J-519533
Z57127548
Acetophenone, TraceCERT(R), certified reference material
InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H
Microorganism:

Yes

IUPAC name1-phenylethanone
SMILESCC(=O)C1=CC=CC=C1
InchiInChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
FormulaC8H8O
PubChem ID7410
Molweight120.15
LogP1.6
Atoms9
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds aromatic ketones ketones benzenoids
CHEBI-ID27632
Supernatural-IDSN0197388

mVOC Specific Details

Boiling Point
DegreeReference
202.1 °C peer reviewed
Volatilization
The Henry's Law constant for acetophenone was measured as 1.04X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetophenone 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 61 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 32 days(SRC). Acetophenone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetophenone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.397 mm Hg(3).
Literature: (1) Betterton EA et al; Atmos Environ 25A: 1473-77 (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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of acetophenone was measured as 10, using an agricultural soil obtained from Northeastern China(1). According to a classification scheme(2), this Koc value suggests that acetophenone is expected to have very high mobility in soil(SRC).
Literature: (1) Ding Y, Wang L; Toxicol Environ Chem 78: 1-9 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #The experimental and estimated log Koc for acetophenone in several soils and sediments ranged from 1.34-2.43(1-6,8). These values are indicative of medium to high mobility in soil and low adsorption to sediments(7).
Literature: (1) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988) (2) Sabljic A; Enviorn Sci Technol 21: 358-66 (1987) (3) Banwart WL et al; J Environ Sci Health B15: 165-79 (1980) (4) Hodson J, Williams NA; Chemosphere 17: 67-77 (1988) (5) Gerstl Z, Mingelgrin U; J Environ Sci Health B19: 297-312 (1984) (6) Khan A et al; Soil Sci 128: 297-302 (1979) (7) Swann RL et al; Res Rev 85: 17-28 (1983) (8) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986)
Vapor Pressure
PressureReference
0.397 mm Hg @ 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
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaAcinetobacter RadioresistensNATimm et al. 2018
ProkaryotaBrevibacterium EpidermidisNATimm et al. 2018
ProkaryotaCorynebacterium XerosisNATimm et al. 2018
ProkaryotaPseudomonas AeruginosaNATimm et al. 2018
ProkaryotaRhodococcus ErythropolisNATimm et al. 2018
ProkaryotaStaphylococcus EpidermidisNATimm et al. 2018
EukaryotaHypoxylon InvadensNADickschat et al. 2018
ProkaryotaBacillus SubtilisZhang et al. 2021
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
ProkaryotaPseudomonas Protegensinhibite the growth of Heterobasidion abietinum 10 and several fungi of different species (Basidiomycete, Ascomycete, Oomycota, Zygomycota)NAPrigigallo et al. 2021
EukaryotaMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al. 1991
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al. 2013
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
EukaryotaBjerkandera Adustan/aNALapadatescu et al. 2000
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
EukaryotaAspergillus ClavatusNASeifert and King 1982
EukaryotaMortierella IsabellinaNABengtsson et al. 1991
EukaryotaVerticillium BulbillosumNABengtsson et al. 1991
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Chlororaphisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere 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
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
EukaryotaTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al. 2000
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
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
ProkaryotaStenotrophomonas MaltophiliaReduction 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
EukaryotaCladosporium CladosporioidesNAHedlund et al. 1995
EukaryotaCladosporium HerbarumNAHedlund et al. 1995
EukaryotaPenicillium SpinulosumNAHedlund et al. 1995
EukaryotaTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber MelanosporumNoneT. 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
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
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
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaAcinetobacter RadioresistensMOPS glucoseSPME, GC-MSno
ProkaryotaAcinetobacter RadioresistensTSASPME, GC-MSno
ProkaryotaBrevibacterium EpidermidisTSASPME, GC-MSno
ProkaryotaCorynebacterium XerosisTSASPME, GC-MSno
ProkaryotaPseudomonas AeruginosaTSASPME, GC-MSno
ProkaryotaRhodococcus ErythropolisTSASPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisMOPS glucose+EZSPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisTSASPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisMOPS glucoseSPME, GC-MSno
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSyes
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas ProtegensLB agar/PD agarGC-MSyes
EukaryotaMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
EukaryotaBjerkandera AdustaMinimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.no
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaAspergillus Clavatusno
EukaryotaMortierella Isabellinano
EukaryotaVerticillium Bulbillosumno
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
EukaryotaTrametes SuaveolensnaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
EukaryotaCladosporium CladosporioidesGC-MSno
EukaryotaCladosporium HerbarumGC-MSno
EukaryotaPenicillium SpinulosumGC-MSno
EukaryotaTuber BorchiiNoneNoneyes
EukaryotaTuber MelanosporumNoneNoneyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF 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 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
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


Piperidin-2-one

Compound Details

Synonymous names
2-Piperidone
piperidin-2-one
675-20-7
DELTA-VALEROLACTAM
2-Piperidinone
Valerolactim
5-Pentanolactam
Piperidone
Piperidinone
Valerolactam
Piperidon
alpha-Piperidone
Piperidone-2
PIPERIDONE,2-
.alpha.-Piperidone
2-oxopiperidine
2-Azacyclohexanone
Piperidon [German]
Pentanoic acid, 5-amino-, lactam
.delta.-Valerolactam
2-oxo-piperidine
NSC 2305
NSC 18894
WLN0GQQ6EK
MFCD00006037
CHEMBL12193
27154-43-4
CHEBI:77761
NSC-2305
NSC18894
Piperidon (german)
NSC-18894
Pentanoic acid, lactam
WLN: T6NVTJ
Piperidones
Piperidone-2 [French]
d-Valerolactam
UNII-WLN0GQQ6EK
EINECS 211-622-9
75-20-7
ketopiperidine
oxopiperidine
5-pentanelactam
2-piperadinone
A-Piperidone
AI3-33342
d-Valero-lactam
piperadine-2-one
piperidine-2-one
delta -Valerolactam
V1L
5-amino-lactam-Pentanoate
delta-Valerolactam, 98%
BDBM10
5-amino-lactam-Pentanoic acid
piperidin-2-one;2-Piperidone
DTXSID1060976
NSC2305
BCP00878
Piperidin-2-one; delta-Valerolactam
BBL027557
STL281850
AKOS005206867
CS-W022933
HY-W042193
MCULE-9168245534
SB41073
AC-15619
AC-33837
NCI60_001574
SY011119
DB-031244
A9047
AM20100626
NS00015672
P0455
EN300-24025
F10312
Q4596918
W-104710
F0001-1780
Z168817684
InChI=1/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7
25036-00-4
Microorganism:

Yes

IUPAC namepiperidin-2-one
SMILESC1CCNC(=O)C1
InchiInChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
FormulaC5H9NO
PubChem ID12665
Molweight99.13
LogP-0.5
Atoms7
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides lactames heterocyclic compounds nitrogen compounds
CHEBI-ID77761
Supernatural-IDSN0440743

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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 Fonticolastimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaStreptomyces Rocheiinhibited the mycelial growth of Lasiodiplodia theobromae L26NASudha et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus AmyloliquefaciensMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaStreptomyces Rocheistarch casein agarSPME/GC-MSno


Benzene;ethanol

Compound Details

Synonymous names
benzene ethanol
ethanol benzene
ethanol-benzene
benzene EtOH
SCHEMBL137177
WVHBHPATSLQXGC-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC namebenzene;ethanol
SMILESCCO.C1=CC=CC=C1
InchiInChI=1S/C6H6.C2H6O/c1-2-4-6-5-3-1;1-2-3/h1-6H;3H,2H2,1H3
FormulaC8H12O
PubChem ID21965192
Molweight124.18
LogP0
Atoms9
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols benzenoids aromatic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Simplexn/aNAGu et al. 2007
ProkaryotaBacillus Subtilisn/aNAGu et al. 2007
ProkaryotaBacillus Weihenstephanensisn/aNAGu et al. 2007
ProkaryotaMicrobacterium Oxydansn/aNAGu et al. 2007
ProkaryotaStenotrophomonas Maltophilian/aNAGu et al. 2007
ProkaryotaStreptomyces Lateritiusn/aNAGu et al. 2007
ProkaryotaSerratia Marcescensn/aNAGu et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano


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

Mass-Spectra

Compound Details

Synonymous names
alpha-TERPINEOL
Terpineol
98-55-5
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
p-Menth-1-en-8-ol
8000-41-7
dl-alpha-Terpineol
1-p-Menthen-8-ol
Terpenol
Terpineol 350
1-Menthene-8-ol
Terpineol schlechthin
CARVOMENTHENOL
TERPINEOLS
.alpha.-Terpineol
Terpilenol, alpha-
8006-39-1
FEMA No. 3045
FEMA Number 3045
alpha-Terpineol (natural)
1-Methyl-4-isopropyl-1-cyclohexen-8-ol
2-(4-Methyl-3-cyclohexenyl)-2-propanol
alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol
ALFA-TERPINEOL
alpha-Terpinenol
CCRIS 3204
HSDB 5316
1-Methyl-4-isopropyl-1-cyclohexene-8-ol
EINECS 202-680-6
EINECS 219-448-5
NSC 21449
PC 593
UNII-21334LVV8W
BRN 1906604
DTXSID5026625
CHEBI:22469
AI3-00275
21334LVV8W
MFCD00001557
NSC-21449
NSC-403665
DTXCID406625
MIL-350
1-alpha-terpineol
EC 202-680-6
PC-593
(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol
NCGC00164431-01
DSSTox_CID_6625
alpha-TERPINEOL (PROPYL METHYL-D3)
68797-63-7
DSSTox_RID_79596
DSSTox_GSID_40775
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-
Terpene alcohol
alpha-Terpineol, analytical standard
Menth-1-en-8-ol
2-(4-methylcyclohex-3-enyl)propan-2-ol
CAS-8000-41-7
3-Cyclohexene-1-methanol,.alpha.4-trimethyl-
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
Caswell No. 823
TERPIN MONOHYDRATE IMPURITY A (EP IMPURITY)
TERPIN MONOHYDRATE IMPURITY A [EP IMPURITY]
UNII-R53Q4ZWC99
-terpineol
Alfa_terpineol
MFCD00075926
alpha -Terpineol
DL a-terpineol
alphaTERPINEOL
Menthen-8-ol
203633-12-9
EINECS 232-268-1
EPA Pesticide Chemical Code 067005
1-p-Menthen-8-
.ALPHA.TERPINEOL
TERPINEOL, ALPHA
(+)-.alpha.-Terpineol
alpha-TERPINEOL (II)
3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-
EC 232-268-1
alpha-Terpineol, AldrichCPR
SCHEMBL28466
ALPHA-TERPINEOL [FCC]
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-
ALPHA-TERPINEOL [HSDB]
CHEMBL449810
R53Q4ZWC99
.ALPHA.-TERPINEOL [II]
.ALPHA.-TERPINEOL [MI]
ALFA-TERPINEOL [WHO-DD]
>80.0%(GC,sum of isomers)
.ALPHA.-TERPINEOL [FHFI]
HY-N5142
NSC21449
Tox21_112118
Tox21_200112
Tox21_302298
c0669
MFCD00166983
NSC403665
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-
AKOS015840815
alpha-Terpineol, 90%, technical grade
MCULE-9798755896
SB45068
CAS-98-55-5
USEPA/OPP Pesticide Code: 067003
NCGC00248528-01
NCGC00255464-01
NCGC00257666-01
SY117295
alpha-Terpineol 1000 microg/mL in Acetone
DB-059206
+/--Terpineol 1000 microg/mL in n-Hexane
CS-0032554
NS00002240
T0022
T0984
2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol
D70165
EN300-125883
(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol
(S)-2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol
SR-01000944873
J-500272
SR-01000944873-1
W-100076
3-cyclohexene-1-methanol, alpha, alpha, 4-trimethyl-
Q27109437
F0001-2319
Flavor and Extract Manufacturers' Association No. 3045
Z1255427148
alpha-Terpineol, primary pharmaceutical reference standard
3-CYCLOHEXENE-1-METHANOL, ALPHA., alpha, 4-TRIMETHYL-
3-CYCLOHEXENE-1-METHANOL, ALPHA., .ALPHA., 4-TRIMETHYL-
3-CYCLOHEXENE-1-METHYANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (S)-
22347-88-2
Microorganism:

Yes

IUPAC name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(CC1)C(C)(C)O
InchiInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
FormulaC10H18O
PubChem ID17100
Molweight154.25
LogP1.8
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID22469
Supernatural-IDSN0420414

mVOC Specific Details

Boiling Point
DegreeReference
218 °C peer reviewed
Volatilization
The Henry's Law constant for alpha-terpineol is reported as 2.23X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that alpha-terpineol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 20 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 150 days(SRC). alpha-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0423 mm Hg at 24 deg C(3).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J, Perdue, EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Solubility
1:8 OR MORE IN 50% ALCOHOL; SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 522
Literature: #Very soluble in benzene, acetone
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-468
Literature: #Very soluble in alcohol, ether
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 4151
Literature: #In water, 7100 mg/L at 25 deg C
Literature: Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-terpineol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0423 mm Hg at 24 deg CLi J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 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
ProkaryotaStenotrophomonas MaltophiliaReduction 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
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
EukaryotaAntrodia CinnamomeananaLu et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaPiptoporus BetulinusnaGC/MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSno
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


(methyldisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names
Dimethyl disulfide
624-92-0
METHYL DISULFIDE
Dimethyldisulfide
Dimethyl disulphide
DMDS
Disulfide, dimethyl
2,3-Dithiabutane
(Methyldisulfanyl)methane
Methyldisulfide
Methyldithiomethane
(Methyldithio)methane
Sulfa-hitech
dimethyldisulphide
FEMA No. 3536
NSC 9370
1,2-Dimethyldisulfane
CCRIS 2939
HSDB 6400
EINECS 210-871-0
UNII-3P8D642K5E
CHEBI:4608
Dimethyl-d6 disulfide
AI3-25305
3P8D642K5E
NSC-9370
MFCD00008561
DTXSID4025117
(CH3S)2
EC 210-871-0
Paladin
UN2381
dimethydisulfide
methyl disulphide
Dimethyl disulfane
Disulfide dimethyl
MeS-SMe
Disulfide, dimethyl-
methyldisulfanyl methane
Dimethyl disulfide, 98%
Dimethyl disulfide, 99%
(Methyldisulfanyl)methane #
Dimethyl disulfide, >=99%
WLN: 1SS1
DTXCID805117
METHYL DISULFIDE [HSDB]
CHEMBL1347061
Dimethyl disulfide, >=99.0%
DIMETHYL DISULFIDE [FHFI]
NSC9370
BDBM233038
Dimethyl disulfide, >=98%, FG
AMY39506
EINECS 272-923-9
Tox21_201525
AKOS009157459
Dimethyl disulfide, analytical standard
MCULE-7451882535
UN 2381
NCGC00091798-01
NCGC00091798-02
NCGC00259075-01
CAS-624-92-0
Dimethyl disulfide, natural, >=98%, FG
D0714
Dimethyl disulfide, purum, >=98.0% (GC)
NS00001484
EN300-36043
InChI=1/C2H6S2/c1-3-4-2/h1-2H
C08371
E78981
A833808
Dimethyl disulfide [UN2381] [Flammable liquid]
Q419800
Q-100719
F0001-1676
Microorganism:

Yes

IUPAC name(methyldisulfanyl)methane
SMILESCSSC
InchiInChI=1S/C2H6S2/c1-3-4-2/h1-2H3
FormulaC2H6S2
PubChem ID12232
Molweight94.2
LogP1.8
Atoms4
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfides sulfur compounds
CHEBI-ID4608
Supernatural-IDSN0417328

mVOC Specific Details

Boiling Point
DegreeReference
109.72 °C peer reviewed
Volatilization
The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)
Vapor Pressure
PressureReference
28.7 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAChippendale et al. 2014
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaNeisseria MeningitidisNANAAllardyce 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 AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANAShestivska et al. 2015
ProkaryotaStenotrophomonas RhizophilaNANAShestivska et al. 2015
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAScotter et al. 2006
ProkaryotaEscherichia ColiNANAAhmed et al. 2023
ProkaryotaKlebsiella PneumoniaeNANAAhmed et al. 2023
ProkaryotaPseudomonas AeruginosaNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaBurkholderia CepaciaNANANA
EukaryotaCandida KruseiNANAHertel et al. 2016a
EukaryotaCandida AlbicansNANAHertel et al. 2016a
EukaryotaCandida GlabrataNANAHertel et al. 2016a
EukaryotaCandida TropicalisNANAHertel et al. 2016a
ProkaryotaEscherichia ColiNANALawal et al. 2018a
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaKlebsiella PneumoniaeNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANANeerincx et al. 2016
ProkaryotaPseudomonas AeruginosaNANALawal et al. 2018a
ProkaryotaPseudomonas AeruginosaNANANA
ProkaryotaPseudomonas PutidaNANANA
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaShewanella PutrefaciensNANANA
ProkaryotaStaphylococcus AureusNANAZechman et al. 1986
ProkaryotaStaphylococcus AureusNANABoots et al. 2014
ProkaryotaStaphylococcus AureusNANALawal et al. 2018a
ProkaryotaStenotrophomonas MaltophiliaNANANA
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaEnterobacter CloacaeNANAJünger et al. 2012
ProkaryotaEscherichia ColiNANAJünger et al. 2012
ProkaryotaProteus MirabilisNANAJünger et al. 2012
ProkaryotaPseudomonas AeruginosaNANAJünger et al. 2012
ProkaryotaSerratia MarcescensNANAJünger et al. 2012
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
ProkaryotaPseudomonas AeruginosaNALawal et al. 2018
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
ProkaryotaBacillus AcidicelerNAMéndez-Bravo et al. 2018
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaIgnatzschineria Indicapig (Sus scrofa domesticus) carcassCernosek et al. 2020
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaHyphomonas Sp.swine wastewaterCho et al. 2019
ProkaryotaRhizobium Sp.swine wastewaterCho et al. 2019
ProkaryotaPseudomonas ProtegensNAMannaa et al. 2018
ProkaryotaSerratia Marcescensantifungal activity against Aspergillus flavustea rhizosphere in Xinyang, Henan province, ChinaGong et al. 2022
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
ProkaryotaBacillus Pumilusantifungal 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 Amyloliquefaciensantifungal 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 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 Mycoidesisolate 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
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
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaPseudomonas AeruginosaLeibnitz 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 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 AmyloliquefaciensLeibnitz 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)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 LicheniformisLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus LicheniformisNAMülner et al. 2020
ProkaryotaPseudomonas AeruginosaNational Collections of Industrial Food and Marine Bacteria, American Type Culture CollectionSlade et al. 2022
ProkaryotaChromobacterium Vacciniiantifungal activity against Trichoderma sp. MWU14-9201, Phoma sp. MWU-UMCS9302, Colletotrichum sp. MWU-UMCS9301, Coleophoma sp. MWU-UMCS9305 and Phytophthora cinnamomi R001isolate from cultivated cranberry bog soils in Massachusetts (USA)Ebadzadsahrai et al. 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStreptomyces GriseusNARiu et al. 2022
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
ProkaryotaBacillus Cereuspromote fungal hypocrellin A production in Shiraia sp. S9isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
ProkaryotaBurkholderia Pyrrociniapromote aerial and root growth in Arabidopsis thaliana seedlingsRhizosphere soil samples from roots of maize (Zea mays L.) grown in Gongju, South KoreaLuo et al. 2022
ProkaryotaStreptomyces Alboflavusn/aNAWang et al. 2013
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Rishiriensisn/aNASchöller et al. 2002
ProkaryotaStreptomyces Albusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Aureofaciensn/aNASchöller et al. 2002
ProkaryotaStreptomyces Coelicolorn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Olivaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
ProkaryotaSerratia Proteamaculansn/aNAWeise et al. 2014
ProkaryotaSerratia Plymuthican/aNAWeise et al. 2014
ProkaryotaLactococcus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaLactobacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaOenococcus OeniThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaLactobacillus BrevisThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaLactobacillus HilgardiiThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaLactobacillus PlantarumThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaActinomycetes Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaAlcaligenes Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaBacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaCitrobacter Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaEnterobacter Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaKlebsiella OxytocaThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaSerratia Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaAeromonas VeroniiThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaStenotrophomonas Maltophilian/aNAZou et al. 2007
ProkaryotaAlcaligenes Faecalisn/aNAZou et al. 2007
ProkaryotaArthrobacter Nitroguajacolicusn/aNAZou et al. 2007
ProkaryotaLysobacter Gummosusn/aNAZou et al. 2007
ProkaryotaSporosarcina Ginsengisolin/aNAZou 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
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
EukaryotaTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al. 2008
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al. 2013
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenaziniumn/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Xenovoransn/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaCupriavidus Necatorn/aNABlom et al. 2011
ProkaryotaLimnobacter Thiooxidansn/aNABlom et al. 2011
ProkaryotaPandoraea Norimbergensisn/aNABlom et al. 2011
ProkaryotaPseudomonas Aeruginosan/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/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
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaStaphylococcus Aureusn/aNAElgaali et al. 2002
ProkaryotaEscherichia Colin/aNASiripatrawan et al. 2008
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
ProkaryotaEscherichia ColiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaBacillus CereusAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaBacillus PolymyxaAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaEnterococcus DuransAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaEnterococcus FaeciumAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaLactobacillus LactisAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaLeuconostoc MesenteroidesAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaStreptococcus AgalactiaeAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaStreptococcus ThermophilusAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
EukaryotaFusarium Sp.NABrock et al. 2011
EukaryotaPenicillium Sp.NALarsen 1998
ProkaryotaPseudomonas Perolensnasterile fish muscle (Sebastes melanops)Miller et al. 1973
ProkaryotaPseudomonas TolaasiinanaLo Cantore et al. 2015
ProkaryotaPseudonocardia ThermophilanasoilWilkins 1996
ProkaryotaSaccharomonospora RectivirgulanasoilWilkins 1996
ProkaryotaSaccharomonospora ViridisnasoilWilkins 1996
ProkaryotaThermoactinomyces VulgarisnasoilWilkins 1996
ProkaryotaThermomonospora FuscanasoilWilkins 1996
ProkaryotaStreptomyces GriseusnasoilWilkins 1996
ProkaryotaStreptomyces Sp.nabreathing zone of a waste collection workerWilkins 1996
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaPseudomonas Putidareduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Chlororaphisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fluorescensnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere 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
ProkaryotaPseudomonas AeruginosananaBriard et al. 2016
ProkaryotaPseudomonas Chlororaphisbacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansRhizosphere of maize, Kiev region, UkrainePopova et al. 2014
ProkaryotaSerratia Proteamaculansbacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansspoiled meatPopova et al. 2014
ProkaryotaSerratia Plymuthicastimulates growth of Pseudomonas fluorescens Pf0-1maize rhizosphere, NetherlandsGarbeva et al. 2014
ProkaryotaChryseobacterium Sp.nanaTyc et al. 2015
ProkaryotaTsukamurella Sp.nanaTyc et al. 2015
ProkaryotaDyella Sp.nanaTyc et al. 2015
ProkaryotaJanthinobacterium Sp.nanaTyc et al. 2015
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaPhialophora FastigiatananaSunesson et al. 1995
ProkaryotaLeuconostoc Mesenteroidescan be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsNAPogačić et al. 2016
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaPseudomonas PutidananaSchöller et al. 1997
ProkaryotaPseudomonas Fluorescensnasoil, water, plantsSchöller et al. 1997
ProkaryotaPseudomonas Aeruginosanasoil, water, skin floraSchöller et al. 1997
ProkaryotaSerratia Liquefaciensnasoil, water, plants; digestive tracts of rodents, insects, fish, humansSchöller et al. 1997
ProkaryotaEnterobacter Cloacaenaubiquitary,intestinalSchöller et al. 1997
ProkaryotaLeuconostoc MesenteroidesnaCantal cheesePogačić et al. 2016
ProkaryotaAlcaligenes FaecalisnanaSu et al. 2016
ProkaryotaBacillus CereusnanaSu et al. 2016
ProkaryotaBrevibacterium EpidermidisnanaSu et al. 2016
ProkaryotaProteus PennerinanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
EukaryotaTuber Magnatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaPenicillium Clavigerumcompost Fischer et al. 1999
ProkaryotaPseudomonas AeruginosaclinicPreti et al. 2009
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaStreptomyces Sp.NAJones et al. 2017
ProkaryotaPseudomonas Putidapositive influence of the plant root growth and protection against soil-borne pathogensNASheoran et al. 2015
ProkaryotaPseudomonas Putidanablack pepper rootSheoran et al. 2015
EukaryotaTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPseudomonas SegetisNANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaPhytophthora CactorumN/APhytophthora cactorum Loulier et al. 2020
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaMicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBHIGC-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-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 Aeruginosahuman bloodSIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas RhizophilaMHBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaEscherichia ColiNBTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeNBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaNBTD/GC-MSno
ProkaryotaStaphylococcus AureusNBTD/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaBurkholderia Cepaciatrypticase soy agarTD/GC-MSno
EukaryotaCandida KruseiSDATD/GC-MSno
EukaryotaCandida AlbicansSDATD/GC-MSno
EukaryotaCandida GlabrataSDATD/GC-MSno
EukaryotaCandida TropicalisSDATD/GC-MSno
ProkaryotaEscherichia ColiASMTD/GC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaBrain Heart InfusionTD/GC-MSno
ProkaryotaPseudomonas AeruginosaASMTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Putidatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaShewanella Putrefacienstrypticase soy agarTD/GC-MSno
ProkaryotaStaphylococcus AureusTSBTD/GC-MSno
ProkaryotaStaphylococcus AureusMueller–HintonTD/GC-MSno
ProkaryotaStaphylococcus AureusASMTD/GC-MSno
ProkaryotaStenotrophomonas Maltophiliatrypticase soy agarTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaEnterobacter CloacaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaEscherichia ColiColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaPseudomonas AeruginosaColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaSerratia MarcescensColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaPseudomonas AeruginosaLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
ProkaryotaBacillus AcidicelerLB agarSPME / GS-MSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaIgnatzschineria IndicaNutrient AgarSPME-GC-MSno
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaHyphomonas Sp.Luria-Bertani (LB)SPME, GC-MSno
ProkaryotaRhizobium Sp.Luria-Bertani (LB)SPME, GC-MSno
ProkaryotaPseudomonas Protegenstryptic soy broth (TSB)gastight syringe, GC-MSno
ProkaryotaSerratia MarcescensNA mediaGC-MS/MSno
ProkaryotaBacillus MuralisNA mediaSPME/GC-MSyes
ProkaryotaBacillus PumilusNA mediaSPME/GC-MSyes
ProkaryotaNovosphingobium LindaniclasticumNA mediaSPME/GC-MSyes
ProkaryotaBacillus SubtilisNA mediaSPME/GC-MSyes
ProkaryotaBacillus AmyloliquefaciensNA mediaSPME/GC-MSyes
ProkaryotaBacillus MegateriumNA mediaSPME/GC-MSyes
ProkaryotaBacillus SubtilisLB agarGC-MSno
ProkaryotaPseudomonas FluorescensLB agarGC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaBacillus MycoidesTSB mediaSPME/GC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB 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
ProkaryotaPseudomonas AeruginosaTS agar/blood agarHS-SPME/GC-MSno
ProkaryotaChromobacterium VacciniiKing media B (KMB)SBSE-TD-GC×GC-TOF-MSno
ProkaryotaStaphylococcus EpidermidisBHI media, LB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStreptomyces GriseusTSA mediaSPME/GC-MSno
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSyes
ProkaryotaBurkholderia PyrrociniaNA mediaSPME/GC-MSyes
ProkaryotaStreptomyces AlboflavusGause's synthetic mediumHeadspace, solid-phase microextractionno
ProkaryotaStreptomyces AlbidoflavusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces Sp.Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces RishiriensisEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AlbusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AntibioticusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AureofaciensEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces CoelicolorEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces DiastatochromogenesEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces GriseusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HirsutusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HygroscopicusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces MurinusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces OlivaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces ThermoviolaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaSerratia ProteamaculansNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia PlymuthicaNBIIHeadspace trapping/ GC-MSno
ProkaryotaLactococcus Sp.n/an/ano
ProkaryotaLactobacillus Sp.n/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaLactobacillus Brevisn/an/ano
ProkaryotaLactobacillus Hilgardiin/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaAlcaligenes Sp.n/an/ano
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaCitrobacter Sp.n/an/ano
ProkaryotaEnterobacter Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaKlebsiella Oxytocan/an/ano
ProkaryotaSerratia Sp.n/an/ano
ProkaryotaAeromonas Veroniin/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
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
ProkaryotaBurkholderia GlumaeLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaribensisLB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenaziniumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenoliruptrixLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia XenovoransLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaChromobacterium ViolaceumLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCupriavidus NecatorMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaLimnobacter ThiooxidansAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPandoraea NorimbergensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas AeruginosaLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ 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
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaStaphylococcus AureusTS brothHS-SPME/GC-MS no
ProkaryotaEscherichia ColiSuper broth made up of tryptone, yeast, NaClHS-SPME/GC-MS no
ProkaryotaBurkholderia Sp.TSBAGC-Q-TOFno
ProkaryotaPaenibacillus Sp.TSBAGC-Q-TOFno
ProkaryotaEscherichia ColiTS brothGC-MS Super Qno
ProkaryotaBacillus CereusTS brothGC-MS SPMEyes
ProkaryotaBacillus PolymyxaTS brothGC-MS SPMEyes
ProkaryotaEnterococcus DuransTS brothGC-MS SPMEyes
ProkaryotaEnterococcus FaeciumTS brothGC-MS SPMEyes
ProkaryotaLactobacillus LactisTS brothGC-MS SPMEyes
ProkaryotaLeuconostoc MesenteroidesTS brothGC-MS SPMEyes
ProkaryotaStreptococcus AgalactiaeTS brothGC-MS SPMEyes
ProkaryotaStreptococcus ThermophilusTS brothGC-MS SPMEyes
EukaryotaFusarium Sp.no
EukaryotaPenicillium Sp.no
ProkaryotaPseudomonas PerolensTrypticase soil agar (BBL)GC/MSno
ProkaryotaPseudomonas TolaasiiKBSPME-GCno
ProkaryotaPseudonocardia ThermophilaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora RectivirgulaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora ViridisNutrient agar CM3GC/MSno
ProkaryotaThermoactinomyces VulgarisNutrient agar CM3GC/MSno
ProkaryotaThermomonospora FuscaNutrient agar CM3GC/MSno
ProkaryotaStreptomyces GriseusNutrient agar CM3GC/MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
ProkaryotaPseudomonas Aeruginosaminimal medium/ Brian mediumSPME-GC/MSno
ProkaryotaPseudomonas ChlororaphisLB mediumSPME-GC/MSno
ProkaryotaSerratia ProteamaculansLB mediumSPME-GC/MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
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
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
EukaryotaAspergillus VersicolorDG18GC/MSno
EukaryotaPenicillium CommuneMEAGC/MSno
EukaryotaPhialophora FastigiataDG18GC/MSno
ProkaryotaLeuconostoc MesenteroidesMan Rogosa Sharpe broth (MRS)Tenax-trap/GC-MSno
EukaryotaSaccharomyces Cerevisiaen/an/ano
ProkaryotaStaphylococcus AureusTS brothGC-FIDno
ProkaryotaEscherichia Colitryptone, yeast extractGC-MS (SPB-5)no
ProkaryotaPseudomonas PutidaAB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MSno
ProkaryotaPseudomonas FluorescensAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaPseudomonas AeruginosaAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaSerratia LiquefaciensAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaEnterobacter CloacaeAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaLeuconostoc Mesenteroidescurd-based broth mediumGC/MSyes
ProkaryotaAlcaligenes FaecalisLB mediumSPME-GC/MSno
ProkaryotaBacillus CereusLB mediumSPME-GC/MSno
ProkaryotaBrevibacterium EpidermidisLB mediumSPME-GC/MSno
ProkaryotaProteus PenneriLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
EukaryotaTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
ProkaryotaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno
ProkaryotaPseudomonas PutidaTSBPropak Q adsorbent trap/GC-MSno
ProkaryotaPseudomonas PutidaLuria Bertani AgarHeadspace GC/MSno
EukaryotaTuber BorchiiNoneNoneyes
EukaryotaTuber MelanosporumNoneNoneyes
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
ProkaryotaPseudomonas SegetisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic 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
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
EukaryotaPhytophthora CactorumPotato Dextrose AgarSPME/GC-MS/MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


5-methylundecane

Compound Details

Synonymous names
5-Methylundecane
Undecane, 5-methyl-
1632-70-8
UNDECANE,5-METHYL-
Methylundecane
5-methyl undecane
5-methyl-undecane
NSC158672
NSC 158672
DTXSID201015959
LMFA11000466
NSC-158672
Microorganism:

Yes

IUPAC name5-methylundecane
SMILESCCCCCCC(C)CCCC
InchiInChI=1S/C12H26/c1-4-6-8-9-11-12(3)10-7-5-2/h12H,4-11H2,1-3H3
FormulaC12H26
PubChem ID94213
Molweight170.33
LogP6.4
Atoms12
Bonds8
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons
Supernatural-IDSN0315508

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Fonticolastimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaPseudomonas Azotoformansstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaPseudomonas AzotoformansM+S (Murashige and Skoog) mediaSPME/GC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Butan-2-amine

Compound Details

Synonymous names
SEC-BUTYLAMINE
butan-2-amine
13952-84-6
2-Butanamine
2-Aminobutane
2-Butylamine
1-Methylpropylamine
Tutane
Butafume
1-Methylpropanamine
Deccotane
Frucote
(RS)-sec-Butylamine
2-Aminobutane base
s-butylamine
Butylamine [ISO]
Secondary butylamine
(+/-)-2-Aminobutane
2-AB
sec-butyl amine
(+-)-sec-butylamine
33966-50-6
sec-Butanamine
(+/-)-sec-Butylamine
NSC 8030
DL-2-Butylamine
(Rs)-2-aminobutane
Propylamine, 1-methyl-
MFCD00008094
QAZ452YGSG
DTXSID4022284
CHEBI:74526
2-Butanamine, hydrochloride
NSC-8030
Caswell No. 125
Propylamine, 1-methyl
sec.-butylamine
DL-sec-Butylamine
Mono-sec-butylamine
sec-BUTYLAMINE, HYDROCHLORIDE
2-AB (VAN)
CCRIS 4757
HSDB 6312
(+/-)-2-Butylamine
EINECS 237-732-7
UNII-QAZ452YGSG
EPA Pesticide Chemical Code 004214
sec butylamine
sec-butylamin
sec.butylamine
sec- butylamine
AI3-35093
s-butyl amine
sec-?Butylamine
Sec. Butylamine
2-amino-butane
monosec.butylamine
secondarybutylamine
methyl-1-propanamine
racemic 2-butylamine
1-Methyl-Propylamine
(-)-sec-Butylamine
sec-Butylamine, 99%
sec-C4H9NH2
.+/-.-sec-Butylamine
(rs)-1-methylpropylamine
(.+/-.)-sec-Butylamine
NCIOpen2_009269
SEC-BUTYLAMINE [MI]
SEC-BUTYLAMINE [FHFI]
SEC-BUTYLAMINE [HSDB]
DTXCID602284
WLN: ZY2&1
2-Butanamine, (.+/-.)-
CHEMBL3186956
FEMA NO. 4240
(+/-)-sec-Butylamine, 99%
NSC8030
sec-Butylamine, analytical standard
STR00953
SEC-BUTYLAMINE DL-FORM [MI]
Tox21_301321
STL194265
AKOS000119064
AKOS016352717
MCULE-8165681721
NCGC00255387-01
CAS-13952-84-6
DB-062902
( inverted exclamation markA)-sec-Butylamine
B0708
NS00020057
EN300-19017
C18706
A806444
A828547
Q288208
J-007288
F2190-0361
Z104472234
InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H
1-sec-Butylamine, salt with d-3-bromo-x-camphorsulfonic acid
Microorganism:

Yes

IUPAC namebutan-2-amine
SMILESCCC(C)N
InchiInChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
FormulaC4H11N
PubChem ID24874
Molweight73.14
LogP0.6
Atoms5
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamines nitrogen compounds
CHEBI-ID74526

mVOC Specific Details

Boiling Point
DegreeReference
63 °C peer reviewed
Volatilization
A pKa of 10.56(1) indicates sec-butylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). sec-Butylamine's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of sec-butylamine from dry soil surfaces may exist based upon its vapor pressure of 178 mm Hg(3).
Soil Adsorption
The Koc of sec-butylamine is estimated as 60(SRC), using a log Kow of 0.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that sec-butylamine is expected to have high mobility in soil. The pKa of sec-butylamine is 10.56(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Mycoidesisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Fonticolastimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus MycoidesTSB mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


N-methylmethanamine

Mass-Spectra

Compound Details

Synonymous names
dimethylamine
N-Methylmethanamine
124-40-3
N,N-Dimethylamine
Methanamine, N-methyl-
Dimethylamine (anhydrous)
RCRA waste number U092
dimethyl-amine
Dimethylamine anhydrous
(CH3)2NH
NSC 8650
HNMe2
Me2NH
CCRIS 981
HSDB 933
Dimethylamine aq
EINECS 204-697-4
UNII-ARQ8157E0Q
Ai3-15638-X
ARQ8157E0Q
DTXSID5024057
CHEBI:17170
Dimethylamine, anhydrous
NSC-8650
DTXCID704057
EC 204-697-4
Dimethylamine (~2.0 M in THF)
Dimethylammonium
Dimethylamin
dimethyl amine
Dimethylamine, purum, >=99.0%
MFCD00008288
(CH3)2NH2
DACARBAZINE IMPURITY D (EP IMPURITY)
DACARBAZINE IMPURITY D [EP IMPURITY]
UN1032
UN1160
RCRA waste no. U092
dimethlamine
dimethlyamine
dimethyamine
dimethylammonia
dimethylarnine
dimetylamine
dirnethylamine
di-methylamine
dimetyl amine
N,N-dimethylamin
N,N dimethylamine
N,N dimethyl amine
N,N- dimethylamine
N,N-dimethyl amine
N-methyl-Methanamine
methanamine, N-methyl
N, N-dimethyl amine
20786-94-1
NHMe2
N-methyl-1-methanamine
DIMETHYLAMINE [MI]
NH(Me)2
Dimethylamine (40% aq.)
DIMETHYLAMINE [HSDB]
Dimethylamine, >=99.8%
NCIOpen2_007708
Dimethylamine anhydrous (dot)
UN 1160 (Salt/Mix)
CHEMBL120433
GTPL5177
NH(CH3)2
WLN: 1M1
DTXSID70165317
NSC8650
DIMETHYLAMINE, (ANHYDROUS)
Dimethylamine, anhydrous, >=99%
STR00287
Tox21_302439
BDBM50416497
Dimethylamine, 2M in tetrahydrofuran
Dimethylamine, 40% aqueous solution
NSC187661
STL263869
N-methylmethanamine (ACD/Name 4.0)
AKOS008968166
MCULE-2809467532
NSC-187661
UN 1032
Dimethylamine (ca. 8% in Acetonitrile)
NCGC00255288-01
CAS-124-40-3
D0643
D3292
D3936
D3948
D4198
D5884
D5885
InChI=1/C2H7N/c1-3-2/h3H,1-2H
NS00001615
C00543
Dimethylamine (ca. 7% in N,N-Dimethylformamide)
Q408022
Molybdoceric acid (H8 Ce Mo12 O42), eicosahydrate
Dimethylamine, anhydrous [UN1032] [Flammable gas]
METFORMIN HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Dimethylamine solution purum 33% in absolute ethanol (~5.6 M)
Microorganism:

Yes

IUPAC nameN-methylmethanamine
SMILESCNC
InchiInChI=1S/C2H7N/c1-3-2/h3H,1-2H3
FormulaC2H7N
PubChem ID674
Molweight45.08
LogP-0.2
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamines nitrogen compounds
CHEBI-ID17170
Supernatural-IDSN0331137

mVOC Specific Details

Boiling Point
DegreeReference
7.3 °C peer reviewed
Volatilization
A pKa of 10.73(1) indicates dimethylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil surfaces is not expected to be an important fate process(2). Dimethylamine is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1,520 mm Hg(3).
Literature: (1) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (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 and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1985)
Soil Adsorption
The adsorption isotherm for dimethylamine in 5 soils was linear and resulted in a mean Koc of 434.9(1). A Koc value of 508 was reported for dimethylamine in lake sediment(2). According to a classification scheme(3), this Koc data suggests that dimethylamine is expected to have moderate mobility in soil.
Literature: (1) Rao PSC, Davidson JM; Retention and Transformation of Selected Pesticides and Phosphorus in Soil-Water Systems, A Critical Review. Washington, DC: USEPA-600/S3-82-060 (1982) (2) von Oepen B et al; Chemosphere 22: 285-304 (1991) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1520 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
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Fonticolastimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaClostridium Difficilenastool specimens, from patients infected with clostridium difficileKuppusami et al. 2015
EukaryotaFusarium GraminearumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaClostridium Difficilebrain heart infusion agar with 7% horse bloodPTR-ToF-MSno
EukaryotaFusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-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


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


Propanoic Acid

Mass-Spectra

Compound Details

Synonymous names
propionic acid
Propanoic acid
79-09-4
ethylformic acid
methylacetic acid
Carboxyethane
Metacetonic acid
Ethanecarboxylic acid
Pseudoacetic acid
Luprosil
Monoprop
Prozoin
Antischim B
Propionoic acid
Acide propionique
Methyl acetic acid
Sentry grain preserver
C3 acid
Tenox P grain preservative
Caswell No. 707
Propionsaeure
Propcorn
Propkorn
propoic acid
Propioic acid
Propionic acid grain preserver
FEMA No. 2924
acide propanoique
Kyselina propionova
Propionic acid (natural)
FEMA Number 2924
CCRIS 6096
EPA Pesticide Chemical Code 077702
HSDB 1192
CH3-CH2-COOH
Acide propionique [French]
Kyselina propionova [Czech]
AI3-04167
proprionic acid
Propanyl acid
CHEBI:30768
BRN 0506071
UNII-JHU490RVYR
n-propionic acid
Toxi-Check
JHU490RVYR
EINECS 201-176-3
UN1848
INS NO.280
DTXSID8025961
Propionic acid [NF]
INS-280
MFCD00002756
CHEMBL14021
DTXCID505961
E-280
EC 201-176-3
metacetonate
propanate
pseudoacetate
4-02-00-00695 (Beilstein Handbook Reference)
PROPIONIC-2,2-D2 ACID
ethanecarboxylate
68937-68-8
68990-37-4
Propionic acid (NF)
Propionic acid [UN1848] [Corrosive]
Propionic acid, >=99.5%
PROPIONIC ACID (MART.)
PROPIONIC ACID [MART.]
Sentry Grain Preservative
Luprisol
proponic acid
1-propanoic acid
2-methylacetic acid
EINECS 273-079-4
Acid C3
EtCO2H
EHTYLFORMIC ACID
Propionic acid solution
Propionic acid, 99%
Propanoic acid (9CI)
C2H5COOH
bmse000179
Epitope ID:139981
Propionic acid, >=99%
Propionic acid, 99.5%
PROPIONIC ACID [MI]
Propionic acid (6CI,8CI)
PROPIONIC ACID [FCC]
Propionic acid, 99%, FCC
PROPIONIC ACID [FHFI]
PROPIONIC ACID [HSDB]
PROPIONIC ACID [INCI]
PROPIONIC ACID [VANDF]
GTPL1062
PROPIONIC ACID [USP-RS]
PROPIONIC ACID [WHO-DD]
AMY4114
DTXSID001015846
Propionic acid, ACS reagent grade
Carboxymethoxylaminehemihydrochloride
Propionic acid, analytical standard
Propionic acid, natural, 99%, FG
Tox21_304030
BDBM50082199
FA 3:0
LMFA01010003
STL168039
Propionic acid, feed grade, 98.7%
AKOS000118853
DB03766
MCULE-2199051150
UN 1848
CAS-79-09-4
Propionic acid, for synthesis, 99.5%
NCGC00357239-01
Propionic acid, >=99.5%, FCC, FG
BP-20411
E280
Propionic acid, ACS reagent, >=99.5%
NS00008857
P0500
EN300-19540
Propionic acid, SAJ first grade, >=98.0%
C00163
D02310
Propionic acid 1000 microg/mL in Acetonitrile
Propionic acid, puriss. p.a., >=99.5% (GC)
Q422956
F2191-0098
Z104474154
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5
Propionic acid, BioReagent, suitable for insect cell culture, ~99%
Propionic acid, United States Pharmacopeia (USP) Reference Standard
90990-11-7
Microorganism:

Yes

IUPAC namepropanoic acid
SMILESCCC(=O)O
InchiInChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
FormulaC3H6O2
PubChem ID1032
Molweight74.08
LogP0.3
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids organic acids carboxylic acids
CHEBI-ID30768
Supernatural-IDSN0425410

mVOC Specific Details

Boiling Point
DegreeReference
141.1 °C peer reviewed
Volatilization
A pKa of 4.87(1) indicates propionic 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). Propionic acid is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 3.35 mm Hg(3).
Literature: (1) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979) (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; Data Compilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data. NY, NY: Am Inst for Phys Prop Data (1985)
Soil Adsorption
The Koc of propionic acid is estimated as 36(SRC), using a log Kow of 0.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionic acid is expected to have very high mobility in soil. The pKa of propionic acid is 4.87(4), indicating that this compound will primarily exist in 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) 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. 6 (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) (4) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979) (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
3.53 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-MS Spectrum 3718 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 20646
MS-MS Spectrum 398 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 22282
MS-MS Spectrum 22280
MS-MS Spectrum 3715 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 22196
MS-MS Spectrum 20731
MS-MS Spectrum 3716 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 397 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 399 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 20730
MS-MS Spectrum 20729
MS-MS Spectrum 22198
MS-MS Spectrum 3719 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 22197
MS-MS Spectrum 3714 - EI-B (HITACHI RMU-6M) Positive
MS-MS Spectrum 3717 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 20647
MS-MS Spectrum 20645
MS-MS Spectrum 22281
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
EukaryotaSaccharomyces CerevisiaeNATejero Rioseras et al. 2017
ProkaryotaStaphylococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaEscherichia Colin/aNAJulak et al. 2003
ProkaryotaKlebsiella Pneumoniaen/aNAJulak et al. 2003
ProkaryotaPseudomonas FluorescensNACheng et al. 2016
EukaryotaPenicillium CamembertiNALarsen 1998
EukaryotaPenicillium CaseifulvumNALarsen 1998
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
ProkaryotaBacillus Simplexn/aNAGu et al. 2007
ProkaryotaBacillus Subtilisn/aNAGu et al. 2007
ProkaryotaBacillus Weihenstephanensisn/aNAGu et al. 2007
ProkaryotaMicrobacterium Oxydansn/aNAGu et al. 2007
ProkaryotaStenotrophomonas Maltophilian/aNAGu et al. 2007
ProkaryotaStreptomyces Lateritiusn/aNAGu et al. 2007
ProkaryotaSerratia Marcescensn/aNAGu et al. 2007
ProkaryotaPorphyromonas GingivalisInhibition of proliferation and cytokine production in Lymphocyte cells.NAKurita-Ochiai et al. 1995
ProkaryotaPrevotella LoescheiiInhibition of proliferation and cytokine production in Lymphocyte cells.NAKurita-Ochiai et al. 1995
ProkaryotaFusobacterium NucleatumInhibition of proliferation and cytokine production in Lymphocyte cells.NAKurita-Ochiai et al. 1995
ProkaryotaBacteroides Distasonisn/aNAWiggins et al. 1985
ProkaryotaBacteroides Ovatusn/aNAWiggins et al. 1985
ProkaryotaBacteroides Thetaiotaomicronn/aNAWiggins et al. 1985
ProkaryotaBacteroides Vulgatusn/aNAWiggins et al. 1985
ProkaryotaClostridium Cadaverumn/aNAWiggins et al. 1985
ProkaryotaClostridium Bifermentansn/aNAWiggins et al. 1985
ProkaryotaClostridium Sporogenesn/aNAWiggins et al. 1985
ProkaryotaPorphyromonas Gingivalisn/aNAKurita-Ochiai et al. 1995
ProkaryotaPrevotella Loescheiin/aNAKurita-Ochiai et al. 1995
ProkaryotaFusobacterium Nucleatumn/aNAKurita-Ochiai et al. 1995
ProkaryotaCapnocytophaga Ochracean/aNAKurita-Ochiai et al. 1995
ProkaryotaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaKlebsiella PneumoniaeNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaAcinetobacter Baumanniiclinical exudatesJulak et al. 2003
ProkaryotaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Capillosusclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Fragilisclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Pyogenesclinical exudatesJulak et al. 2003
ProkaryotaClostridium Difficileclinical exudatesJulak et al. 2003
ProkaryotaClostridium Perfringensclinical exudatesJulak et al. 2003
ProkaryotaClostridium Ramosumclinical exudatesJulak et al. 2003
ProkaryotaClostridium Septicumclinical exudatesJulak et al. 2003
ProkaryotaClostridium Tertiumclinical exudatesJulak et al. 2003
ProkaryotaEubacterium Lentumclinical exudatesJulak et al. 2003
ProkaryotaFusobacterium Simiaeclinical exudatesJulak et al. 2003
ProkaryotaFusobacterium Necrophorumclinical exudatesJulak et al. 2003
ProkaryotaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
ProkaryotaNocardia Sp.clinical exudatesJulak et al. 2003
ProkaryotaPeptostreptococcus Anaerobiusclinical exudatesJulak et al. 2003
ProkaryotaPropionibacterium Acnesclinical exudatesJulak et al. 2003
ProkaryotaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaHanseniaspora UvarumNANAGe et al. 2021
EukaryotaSaccharomycopsis CrataegensisNANAGe et al. 2021
EukaryotaMetschnikowia PulcherrimaNANAGe et al. 2021
EukaryotaPichia KluyveriNANAGe et al. 2021
EukaryotaRhodosporidiobolus LusitaniaeNANAGe et al. 2021
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
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
EukaryotaSaccharomyces Cerevisiaeyeast nitrogen base, 2% glucoseSESI-HRMSno
ProkaryotaStaphylococcus Sp.n/an/ano
ProkaryotaEscherichia ColiVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS no
ProkaryotaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS no
ProkaryotaPseudomonas FluorescensKings B + rif,+kann; PDA GC-Q-TOF-MSno
EukaryotaPenicillium Camembertino
EukaryotaPenicillium Caseifulvumno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaClostridium Sp.n/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaPorphyromonas Gingivalisn/an/ano
ProkaryotaPrevotella Loescheiin/an/ano
ProkaryotaFusobacterium Nucleatumn/an/ano
ProkaryotaBacteroides Distasonisn/an/ano
ProkaryotaBacteroides Ovatusn/an/ano
ProkaryotaBacteroides Thetaiotaomicronn/an/ano
ProkaryotaBacteroides Vulgatusn/an/ano
ProkaryotaClostridium Cadaverumn/an/ano
ProkaryotaClostridium Bifermentansn/an/ano
ProkaryotaClostridium Sporogenesn/an/ano
ProkaryotaCapnocytophaga Ochracean/an/ano
ProkaryotaEscherichia Colipeptone, casein, yeast extract, glucoseGC-FID FSOT NUKOLno
ProkaryotaKlebsiella Pneumoniaepeptone, casein, yeast extract, glucoseGC-FID FSOT NUKOLno
ProkaryotaAcinetobacter Baumanniipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Tertiumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaFusobacterium Necrophorumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaNocardia Sp.peptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPeptostreptococcus Anaerobiuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaHanseniaspora Uvarumgrape juiceLC-15C HPLCno
EukaryotaSaccharomycopsis Crataegensisgrape juiceLC-15C HPLCno
EukaryotaMetschnikowia Pulcherrimagrape juiceLC-15C HPLCno
EukaryotaPichia Kluyverigrape juiceLC-15C HPLCno
EukaryotaRhodosporidiobolus Lusitaniaegrape juiceLC-15C HPLCno
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
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


Tert-butyl (2-methylpropan-2-yl)oxycarbonyl Carbonate

Compound Details

Synonymous names
Di-tert-butyl dicarbonate
24424-99-5
BOC anhydride
Bis(tert-butoxycarbonyl)oxide
di-tert-Butyl pyrocarbonate
Di-tert-butyldicarbonate
Boc2O
tert-Butoxycarbonyl anhydride
BOC-anhydride
di-t-Butyl dicarbonate
Dicarbonic acid, bis(1,1-dimethylethyl) ester
Di-t-butyl pyrocarbonate
(boc)2o
tert-Butyl dicarbonate
Pyrocarbonic acid di-tert-butyl ester
di-tert butyl dicarbonate
di-t-butyldicarbonate
di-t-butyl-dicarbonate
ditert-butyldicarbonate
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
di-tert-butyl-dicarbonate
MFCD00008805
tert-butoxycarbonyl tert-butyl carbonate
Z10Q236C3G
Di-tert-butyl dicarbonate 2.0M in THF
Di-tert-butyl dicarbote
Di-tert-butyl dicarbonate 2.0M in Dichloromethane
Diboc
CCRIS 2598
ditertbutyl dicarbonate
EINECS 246-240-1
di-tert-butyl oxydiformate
UNII-Z10Q236C3G
tBoc2O
Di-tert-butyl dicarbonate (DIBOC)
diterbutyldicarbonate
ditertbutyldicarbonate
di t-butyldicarbonate
di-t butyldicarbonate
diterbutyl dicarbonate
diterbutyl-dicarbonate
t-Boc2O
Di-t-butyidicarbonate
di-tertbutyldicarbonate
ditert butyldicarbonate
ditertbutyl-dicarbonate
di t butyl dicarbonate
di t-butyl dicarbonate
di(t-butyl)dicarbonate
di-t -butyldicarbonate
di-t butyl dicarbonate
di-t butyl-dicarbonate
di-t-butylpyrocarbonate
di-ter-butyldicarbonate
di-terbutyl dicarbonate
di-tert-butydicarbonate
di-tert-butyldicarbonat
(tBoc)2O
Di-tert-buyldicarbonate
di tert butyldicarbonate
di tert-butyldicarbonate
di tert.butyldicarbonate
di-tert butyldicarbonate
di-tert-butyidicarbonate
di-tert.butyldicarbonate
di-tertbutyl dicarbonate
di-tertbutyl-dicarbonate
ditert-butyl dicarbonate
ditert-butyl-dicarbonate
ditert.butyl dicarbonate
Di-tert-butlydicarbonate
di-tertbutylpyrocarbonate
Ditert butyl dicarbonate
di(t-butyl) dicarbonate
di-(t-butyl)dicarbonate
di-ter-butyl dicarbonate
di-ter-butyl-dicarbonate
di-tert-butyl dicabonate
di-tert-butyl dicarbonat
di-tert-butyl-dicarbonat
di-tert.-butyldicarbonat
di-tert.butyl-dicarbonat
tert-butyl (tert-butoxycarbonyloxy)formate
Di-tert-buty dicarbonate
bis(t-butyl)pyrocarbonate
di tert butyl dicarbonate
di tert.-butyldicarbonate
di(t-butoxycarbonyl)ether
di(tert-butyl)dicarbonate
di-tert-butly-dicarbonate
di-tert.-butyldicarbonate
di-tert.butyl dicarbonate
di-tert.butyl-dicarbonate
O(Boc)2
(tBuO2C)2O
Di tert-butyl dicarbonate
Di-tert -butyldicarbonate
Di-tert-butyldicarbon-ate
di-tert-butylpyrocarbonate
di-tert.butylpyrocarbonate
di-tertbutyl-pyrocarbonate
(BOC)2O?Boc Anhydride
di-(t-butyl) dicarbonate
di-tertiarybutyldicarbonate
ditertiary butyldicarbonate
ditertiary-butyldicarbonate
ditertiarybutyl dicarbonate
bis(t-butoxycarbonyl)oxide
bis(tert-butyl)dicarbonate
Di-tert.-butyl-dicarbonat
(di-tert-butyl)dicarbonate
di (tert-butyl)dicarbonate
di(tert-butyl) dicarbonate
di(tert-butyl)-dicarbonate
di(tert.butyl) dicarbonate
di-(tert-butyl)dicarbonate
di-tert -butyl dicarbonate
di-tert-butyl di carbonate
di-tert-butyl- dicarbonate
di-tert. butyl dicarbonate
di-tert. butyl-dicarbonate
di-tert.-butyl dicarbonate
di-tert.-butyl-dicarbonate
di(tert-butyl)pyrocarbonate
di-tert-butyl-pyrocarbonate
di-tert.-butylpyrocarbonate
di-tert.butyl pyrocarbonate
ditert.-butyl pyrocarbonate
di-tertiary-butyldicarbonate
di-tertiarybutyl dicarbonate
ditertiary butyl dicarbonate
EC 246-240-1
t-Butoxycarboxylic anhydride
(t-BOC)2O
bis(t-butoxycarbonyl) oxide
bis(tert-butyl) dicarbonate
SCHEMBL5452
di(-tert.butyl) dicarbonate
di-(tert-butyl) dicarbonate
di-tert. butyl pyrocarbonate
di-tert.-butyl pyrocarbonate
di tertiary butyl dicarbonate
di-tertiary butyl dicarbonate
di-tertiary butyl-dicarbonate
di-tertiary-butyl dicarbonate
di-tertiary-butyl-dicarbonate
Di(tertiarybutyl) dicarbonate
di-tert. -butyl pyrocarbonate
tert-butoxycarboxylic anhydride
DTXSID4051904
CHEBI:48500
di(1,1-dimethylethyl)dicarbonate
bis(1,1-dimethylethyl)dicarbonate
dicarbonic acid di(t-butyl) ester
di(1,1-dimethylethyl) dicarbonate
pyrocarbonic acid di-t-butyl ester
Bis(1,1-dimethylethyl)dicarbonoate
BCP26395
bis(1,1'-dimethylethyl)dicarbonate
bis(1,1-dimethylethyl) dicarbonate
Bis(1,1-dimethylethyl)-dicarbonate
pyrocarbonic acid-di-tert-butylester
STR01939
tert-butoxycarboxylic acid anhydride
bis (1,1-dimethylethyl) dicarbonate
Bis(1,1-dimethylethyl) dicarbonoate
pyrocarbonic acid di-tert.butyl ester
pyrocarbonic acid-di-tert-butyl ester
1,1-dimethylethoxycarboxylic anhydride
AKOS000121490
DI-TERT-BUTYL DICARBONATE [MI]
MCULE-1408482476
Di-tert-butyl dicarbonate 1.0M in THF
pyrocarbonic acid ditertiary butyl ester
tert-butyl(tert-butoxycarbonyloxy)formate
BP-20551
Di-tert-butyl pyrocarbonate; Dicarbonic acid bis(1,1-dimethylethyl)ester; Pyrocarbonic acid di-tert-butyl ester
PD118138
AM20090273
CS-0017817
D1547
D3878
D3879
D3880
Di-tert-butyl dicarbonate, >=98.0% (GC)
NS00000554
tert-butyl[(tert-butyl)oxycarbonyloxy]formate
EN300-17516
tert-butyl [(tert-butyl)oxycarbonyloxy]formate
A15406
BOC anhydride;DIBOC;Di-tert-butyl dicarbonate
C90704
Di-tert-butyl dicarbonate 2.0M in Ethyl acetate
Di-tert-butyl dicarbonate, ReagentPlus(R), 99%
carbonic acid tert-butoxycarbonyl tert-butyl ester
Q175718
Di-tert-butyl dicarbonate, ReagentPlus(R), >=99%
Dicarbonic acid, 1,3-bis(1,1-dimethylethyl) ester
J-520400
(2-Methylpropan-2-yl)oxycarbonyl tert-butyl carbonate
F0001-0830
DICARBONIC ACID C,C'-BIS(1,1-DIMETHYLETHYL) ESTER
Microorganism:

Yes

IUPAC nametert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C
InchiInChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3
FormulaC10H18O5
PubChem ID90495
Molweight218.25
LogP2.7
Atoms15
Bonds6
H-bond Acceptor5
H-bond Donor0
Chemical Classificationanhydrides carbonates
CHEBI-ID48500
Supernatural-IDSN0078747

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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 Azotoformansstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus ToyonensisM+S (Murashige and Skoog) mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesM+S (Murashige and Skoog) mediaSPME/GC-MSno
ProkaryotaSerratia MyotisTSB mediaSPME/GC-MSno
ProkaryotaPseudomonas AzotoformansM+S (Murashige and Skoog) mediaSPME/GC-MSno


Cyclohexene

Mass-Spectra

Compound Details

Synonymous names
CYCLOHEXENE
110-83-8
Tetrahydrobenzene
Cyclohex-1-ene
Benzene tetrahydride
1,2,3,4-Tetrahydrobenzene
Benzenetetrahydride
Hexanaphthylene
Cykloheksen
Benzene, tetrahydro-
1-Cyclohexene
3,4,5,6-Tetrahydrobenzene
Zyklohexen
NSC 24835
12L0P8F7GN
CHEBI:36404
NSC-24835
Cykloheksen [Polish]
25012-94-6
HSDB 1624
EINECS 203-807-8
UN2256
BRN 0906737
cylcohexene
UNII-12L0P8F7GN
cyclo hexene
cyclo-hexene
cyclohexane N
AI3-03146
CCRIS 8739
2-cyclohexen
MFCD00001539
UN 2256
CYCLOHEXENE [MI]
1,3,4-Tetrahydrobenzene
WLN: L6UTJ
CYCLOHEXENE [HSDB]
EC 203-807-8
4-05-00-00218 (Beilstein Handbook Reference)
CHEMBL16396
Cyclohexene, analytical standard
DTXSID9038717
AMY17792
NSC24835
STL445673
AKOS000119959
AKOS025243963
MCULE-3564016252
BP-31020
Cyclohexene [UN2256] [Flammable liquid]
NS00008978
EN300-19682
A802251
Cyclohexene, inhibitor-free, ReagentPlus(R), 99%
Q413328
J-002481
F0001-0225
Z104474726
Cyclohexene, contains 100 ppm BHT as inhibitor, >=99.0%
InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H
Microorganism:

Yes

IUPAC namecyclohexene
SMILESC1CCC=CC1
InchiInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
FormulaC6H10
PubChem ID8079
Molweight82.14
LogP2.9
Atoms6
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes alkenes
CHEBI-ID36404
Supernatural-IDSN0124671

mVOC Specific Details

Boiling Point
DegreeReference
83 °C peer reviewed
Volatilization
The Henry's Law constant for cyclohexene is 4.55X10-2 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that cyclohexene 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 1 hour(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). Cyclohexene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclohexene is expected to volatilize from dry soil surfaces(SRC) based upon a an extrapolated vapor pressure of 89 mm Hg(3).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of cyclohexene is estimated as 850 (SRC), using a log Kow of 2.86(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cyclohexene is expected to have low mobility in soil(SRC).
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. 23 (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
89.0 mm Hg at 25 deg C (est)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
ProkaryotaStenotrophomonas MaltophiliaReduction 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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano


Hexadecane

Mass-Spectra

Compound Details

Synonymous names
HEXADECANE
n-Hexadecane
544-76-3
Cetane
n-Cetane
Hexadekan
Cetan
Zetan
CCRIS 5833
HSDB 6854
F8Z00SHP6Q
NSC 7334
EINECS 208-878-9
BRN 1736592
AI3-06522
UNII-F8Z00SHP6Q
MFCD00008998
DTXSID0027195
CHEBI:45296
HEXADECANE, N-
NSC-7334
PARAFOL 16-97
DTXCID607195
Hexadecane-1-D 98 atom % d
EC 208-878-9
4-01-00-00537 (Beilstein Handbook Reference)
hexadecan
Pentadecane, methyl-
Hexadecane, analytical standard
CH3-(CH2)14-CH3
CH3-[CH2]14-CH3
CNS
Hexadecane; Cetane; NSC 7334; S 6 (alkane); n-Cetane; n-Hexadecane
Hexadecane solution
n-Hexadecane 10 microg/mL in Acetone
Hexadecane, >=99%
HEXADECANE [HSDB]
HEXADECANE [INCI]
Hexadecane, p.a., 99%
UNII: F8Z00SHP6Q
Hexadecane_RamanathanGurudeeban
CHEMBL134994
QSPL 025
QSPL 078
QSPL 116
Hexadecane, anhydrous, >=99%
NSC7334
Hexadecane, ReagentPlus(R), 99%
Tox21_300485
LMFA11000577
STL453674
AKOS025212855
Hexadecane, purum, >=98.0% (GC)
NCGC00164132-01
NCGC00164132-02
NCGC00254306-01
AS-56424
CAS-544-76-3
SY010655
DB-052582
Hexadecane, Vetec(TM) reagent grade, 98%
CS-0152222
H0066
NS00009955
S0288
D97389
A830206
Q150843
5166841B-BF92-4A7D-8CEF-0B01B374ED0E
InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H
Microorganism:

Yes

IUPAC namehexadecane
SMILESCCCCCCCCCCCCCCCC
InchiInChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
FormulaC16H34
PubChem ID11006
Molweight226.44
LogP8.3
Atoms16
Bonds13
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons alkanes
CHEBI-ID45296
Supernatural-IDSN0061743

mVOC Specific Details

Boiling Point
DegreeReference
286.9 °C peer reviewed
Volatilization
The Henry's Law constant for hexadecane is estimated as 21 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00149 mm Hg(1), and water solubility, 2.1X10-5 mg/L(2). This Henry's Law constant indicates that hexadecane 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 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 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 estimated volatilization half-life from a model pond is approximately 24 months if adsorption is considered(4). n-Hexadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexadecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Taylor & Francis, Washington, DC (1999) (2) Coates M et al; Environ Sci Technol 19: 628-32 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of hexadecane can be estimated to be 53,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that hexadecane is expected to be immobile in soil(SRC). From the experimental value of Freundlich adsorption constants and organic carbon contents in three Canadian soils (Wendover 16.2% OC; Vaudreil 10.0% OC; Grimsby 1.0% OC)(3), Koc values can be estimated to be in the range of approximately 50-400(SRC). The experimental data of other investigators suggest that less than 20% of hexadecane from solution is adsorbed in soil, sludge and sediment(4-6). However, in all the adsorption experiments(3-6), the concentration of hexadecane solution used for the adsorption study far exceeded the aqueous solubility of hexadecane making the results questionable(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 17, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (4) Meyers PA, Quinn JG; Nature 244: 23-4 (1973) (5) Kanatharana P, Grob RL; J Environ Sci Health A18: 59-77 (1985) (6) Lee RF; pp. 611-6 in Proc 1977 Oil Spill Conf. New Orleans, LA: American Petroleum Institute (1977)
Vapor Pressure
PressureReference
0.00149 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1999)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaEscherichia ColiNANADixon et al. 2022
EukaryotaPythium OligandrumN/APythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.Sheikh et al. 2023
ProkaryotaPseudomonas FluorescensPlant growth promotion and ISRrhizosphereJishma et al. 2017
ProkaryotaPseudomonas FluorescensPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas RhodesiaePlant growth promotion and ISRrhizosphereJishma et al. 2017
EukaryotaFusarium CulmorumNASchmidt et al. 2018
EukaryotaPleurotus OstreatusAgriculture Research Center, Giza, EgyptHamad et al. 2022
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 Amyloliquefaciensstimulate growth of Solanum tuberosumcommercial strainHeenan-Daly et al. 2021
ProkaryotaBacillus Toyonensisisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Fonticolastimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Myotisstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaPseudomonas Azotoformansstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Cereuspromote fungal hypocrellin A production in Shiraia sp. S9isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
ProkaryotaCyanobacteria Sp.n/aNASchulz and Dickschat 2007
ProkaryotaBacillus Simplexn/aNAGu et al. 2007
ProkaryotaBacillus Subtilisn/aNAGu et al. 2007
ProkaryotaBacillus Weihenstephanensisn/aNAGu et al. 2007
ProkaryotaMicrobacterium Oxydansn/aNAGu et al. 2007
ProkaryotaStenotrophomonas Maltophilian/aNAGu et al. 2007
ProkaryotaStreptomyces Lateritiusn/aNAGu et al. 2007
ProkaryotaSerratia Marcescensn/aNAGu et al. 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
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
ProkaryotaArthrobacter Agilisnarhizosphere of maize plantsVelázquez-Becerra et al. 2011
ProkaryotaBacillus Megateriumnarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaPseudomonas Putidanarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaSerratia Sp.NANAEtminani et al. 2022
ProkaryotaEnterobacter Sp.NANAEtminani et al. 2022
ProkaryotaPantoea Sp.NANAEtminani et al. 2022
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
ProkaryotaStaphylococcus AureusWang et al. 2023
ProkaryotaPediococcus AcidilacticiMockus et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSyes
ProkaryotaPseudomonas FluorescensNBGS-MSno
ProkaryotaPseudomonas FluorescensMR-VP brothGS-MSno
ProkaryotaPseudomonas RhodesiaeNBGS-MSno
EukaryotaFusarium CulmorumKing`s B agarUPLC-MSno
EukaryotaPleurotus OstreatusGC-MSno
ProkaryotaBacillus SubtilisLB agarGC-MSno
ProkaryotaPseudomonas FluorescensLB agarGC-MSno
ProkaryotaBacillus AmyloliquefaciensMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisTSB mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia MyotisMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaPseudomonas AzotoformansM+S (Murashige and Skoog) mediaSPME/GC-MSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSyes
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaPseudomonas Fluorescensn/an/ano
ProkaryotaPseudomonas Corrugatan/an/ano
ProkaryotaPseudomonas Chlororaphisn/an/ano
ProkaryotaPseudomonas Aurantiacan/an/ano
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
ProkaryotaArthrobacter AgilisLB mediumSPME-GC/MSno
ProkaryotaBacillus MegateriumKing's B AgarSPME-GC/MSno
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno
ProkaryotaSerratia Sp.nutrient agar (NA)GC–MSno
ProkaryotaEnterobacter Sp.nutrient agar (NA)GC–MSno
ProkaryotaPantoea Sp.nutrient agar (NA)GC–MSno
ProkaryotaPseudomonas Sp.nutrient agar (NA)GC–MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno
ProkaryotaPediococcus Acidilacticilentils (Lens culinaris)SPME/ICP-MSno


Dodecane

Mass-Spectra

Compound Details

Synonymous names
DODECANE
n-Dodecane
112-40-3
Dihexyl
Bihexyl
Adakane 12
93685-81-5
N-Dodecan
Duodecane
Ba 51-090453
NSC 8714
CCRIS 661
dodecan
Dodekan
HSDB 5133
EINECS 203-967-9
UNII-11A386X1QH
BRN 1697175
DTXSID0026913
CHEBI:28817
11A386X1QH
NSC-8714
DTXCID906913
EC 203-967-9
4-01-00-00498 (Beilstein Handbook Reference)
93924-07-3
Undecane, methyl-
n-Dodecan [German]
CH3-(CH2)10-CH3
CH3-[CH2]10-CH3
Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated
129813-67-8
D12
normal dodecane
Normal Paraffin M
EINECS 297-629-8
EINECS 300-199-7
MFCD00008969
Norpar 13
Dodecane, 99%
Alkane C(12)
1-DODECANE
DODECANE [HSDB]
DODECANE [INCI]
C12-N-ALKANE
EC 300-199-7
Dodecane(mixture of isomers)
Dodecane, analytical standard
CHEMBL30959
Density Standard 749 kg/m3
Dodecane, anhydrous, >=99%
WLN: 12H
CH3(CH2)10CH3
NSC8714
Tox21_303615
Dodecane, ReagentPlus(R), >=99%
LMFA11000004
STL280320
Dodecane, technical, >=90% (GC)
AKOS015904160
MCULE-3947157412
NCGC00166012-01
NCGC00257481-01
CAS-112-40-3
DA-16704
LS-14163
CS-0152244
D0968
NS00009666
D5580 n-Dodecane, 1.5% w/w in Isooctane
C08374
Q150744
1310FACD-F2BF-4FD7-BC20-B21DF06EDE79
J-002767
Dodecane, certified reference material, TraceCERT(R)
F0001-0259
Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality
InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H
Microorganism:

Yes

IUPAC namedodecane
SMILESCCCCCCCCCCCC
InchiInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
FormulaC12H26
PubChem ID8182
Molweight170.33
LogP6.1
Atoms12
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons alkanes
CHEBI-ID28817
Supernatural-IDSN0350478

mVOC Specific Details

Boiling Point
DegreeReference
216.3 °C peer reviewed
Volatilization
The Henry's Law constant for dodecane is estimated as 8.2 atm-cu m/mole(SRC) derived from its vapor pressure, 0.135 mm Hg(1), and water solubility, 3.7X10-3 mg/L(2). This Henry's Law constant indicates that dodecane 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 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 32 days if adsorption is considered(4). Dodecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dodecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Kertes AS; Hydrocarbons with Water and Seawater Part II. Hydrocarbons C8 to C31. Solubility Data Series Vol 38. Shaw PC, ed., London, UK: Pergamon Press, 553 pp (1989) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp 5 Vol (1994) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of dodecane can be estimated to be 4800(SRC). According to a classification scheme(2), this estimated Koc value suggests that dodecane is expected to have slight mobility in soil. In a study conducted to mimic a spill of 1.27 L/sq m, dodecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3). In another study, it was determined that dodecane is slowly intercalated into well dried montmorillonite clay(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 25, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton, OH: Monsanto Res Corp. pp. 173 (1982) (4) Eltantawy IM, Arnold PW; Nature (London) Phys Sci 237: 123-25 (1972)
Vapor Pressure
PressureReference
0.135 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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAKunze et al. 2013
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaMycobacterium TuberculosisNANAKolk et al. 2012
EukaryotaPythium OligandrumN/APythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.Sheikh et al. 2023
ProkaryotaPseudomonas FluorescensPlant growth promotion and ISRrhizosphereJishma et al. 2017
ProkaryotaPseudomonas MonteiliiPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas PutidaPlant growth promotion and ISRrhizosphereJishma et al. 2017
ProkaryotaEscherichia ColiNAKarami et al. 2017
ProkaryotaBacillus Velezensismaize seedMassawe et al. 2018
ProkaryotaBacillus Amyloliquefaciensstimulate growth of Solanum tuberosumcommercial strainHeenan-Daly et al. 2021
ProkaryotaBacillus Toyonensisisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaStaphylococcus Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
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.n/aNAZou et al. 2007
ProkaryotaStenotrophomonas Maltophilian/aNAZou et al. 2007
ProkaryotaAlcaligenes Faecalisn/aNAZou et al. 2007
ProkaryotaArthrobacter Nitroguajacolicusn/aNAZou et al. 2007
ProkaryotaLysobacter Gummosusn/aNAZou et al. 2007
ProkaryotaSporosarcina Ginsengisolin/aNAZou et al. 2007
ProkaryotaBacillus Simplexn/aNAGu et al. 2007
ProkaryotaBacillus Subtilisn/aNAGu et al. 2007
ProkaryotaBacillus Weihenstephanensisn/aNAGu et al. 2007
ProkaryotaMicrobacterium Oxydansn/aNAGu et al. 2007
ProkaryotaStreptomyces Lateritiusn/aNAGu et al. 2007
ProkaryotaSerratia Marcescensn/aNAGu et al. 2007
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
ProkaryotaBacillus AmyloliquefaciensAgriculture University of Nanjing, ChinaTahir et al. 2017
ProkaryotaBacillus AtrophaeusAgriculture University of Nanjing, ChinaTahir et al. 2017
EukaryotaPenicillium Crustosumcompost Fischer et al. 1999
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaSerratia Sp.NANAEtminani et al. 2022
ProkaryotaEnterobacter Sp.NANAEtminani et al. 2022
ProkaryotaPantoea Sp.NANAEtminani et al. 2022
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
EukaryotaFusarium GraminearumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLBMCC-IMSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaMycobacterium Tuberculosis7H9 OADCTD/GC-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSyes
ProkaryotaPseudomonas FluorescensNBGS-MSno
ProkaryotaPseudomonas MonteiliiMR-VP brothGS-MSno
ProkaryotaPseudomonas PutidaNBGS-MSno
ProkaryotaEscherichia ColiMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaBacillus VelezensisMinimal salt mediumSPME, GC-MSno
ProkaryotaBacillus AmyloliquefaciensMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisTSB mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusLB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS 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
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
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
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
ProkaryotaBacillus AmyloliquefaciensLBSPME-GC-MSno
ProkaryotaBacillus AtrophaeusLBSPME-GC-MSno
EukaryotaPenicillium Crustosumyest extract sucroseTenax/GC-MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaSerratia Sp.nutrient agar (NA)GC–MSno
ProkaryotaEnterobacter Sp.nutrient agar (NA)GC–MSno
ProkaryotaPantoea Sp.nutrient agar (NA)GC–MSno
ProkaryotaPseudomonas Sp.nutrient agar (NA)GC–MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
EukaryotaFusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno