Results for:
Species: Tuber aestivum

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


4-methylphenol

Compound Details

Synonymous names
4-methylphenol
P-CRESOL
106-44-5
4-Cresol
4-Hydroxytoluene
p-Methylphenol
para-Cresol
Phenol, 4-methyl-
p-Hydroxytoluene
p-Tolyl alcohol
p-Kresol
p-Oxytoluene
p-Toluol
p-Cresylic acid
1-Hydroxy-4-methylbenzene
Paracresol
p-Methylhydroxybenzene
1-Methyl-4-hydroxybenzene
Paramethyl phenol
para-Cresylic acid
4-methyl phenol
Cresol, para-
Cresol, p-
p-Kresol [German]
Cresol, p-isomer
FEMA No. 2337
CRESOL, PARA
p-Methyl phenol
4-methyl-phenol
4-methylphenol (p-cresol)
NSC 3696
MFCD00002376
1MXY2UM8NV
CHEMBL16645
DTXSID7021869
CHEBI:17847
NSC-3696
NCGC00091519-04
TOLUENE,4-HYDROXY (PARA-CRESOL)
p-Cresol [UN2076] [Poison, Corrosive]
DSSTox_CID_1869
DTXCID101869
CAS-106-44-5
CCRIS 647
HSDB 1814
EINECS 203-398-6
UNII-1MXY2UM8NV
para cresol
p-Cresylate
p-methyl-phenol
AI3-00150
?p-Cresol
Cresol,p-
Phenol, 4-methyI
p-Cresol, 99%
Spectrum_000850
p-Cresol, High Purity
P-CRESOL [FHFI]
P-CRESOL [HSDB]
P-CRESOL [INCI]
Spectrum2_000765
Spectrum4_001740
Spectrum5_000540
P-CRESOL [MI]
SCHEMBL375
bmse000458
EC 203-398-6
DSSTox_RID_77380
DSSTox_RID_77554
NCIOpen2_001516
WLN: QR D1
DSSTox_GSID_24364
DSSTox_GSID_24858
KBioGR_002160
KBioSS_001330
p-Cresol, analytical standard
BIDD:ER0010
DivK1c_000381
SPECTRUM1500209
p-Cresol, >=99%, FG
SPBio_000810
SCHEMBL7812506
SGCUT00097
HMS501D03
KBio1_000381
KBio2_001330
KBio2_003898
KBio2_006466
DTXSID30236875
DTXSID40185628
NSC3696
PARACRESOL [USP IMPURITY]
NINDS_000381
HMS1920A16
HMS2091I04
Pharmakon1600-01500209
p-Cresol, for synthesis, 98.0%
4-Methylphenol, analytical standard
NSC95259
to_000033
Tox21_113240
Tox21_113445
Tox21_200402
Tox21_201115
Tox21_300029
BDBM50008543
CCG-38990
NSC-95259
NSC756709
STL183323
AKOS000119005
Tox21_113445_1
DB01688
MCULE-2287247927
IDI1_000381
NCGC00013272-01
NCGC00091519-01
NCGC00091519-02
NCGC00091519-03
NCGC00091519-05
NCGC00091519-06
NCGC00091519-07
NCGC00091519-09
NCGC00253980-01
NCGC00257956-01
NCGC00258667-01
4-Methylphenol 10 microg/mL in Methanol
PS-11958
CAS-1319-77-3
p-Cresol, JIS special grade, >=99.0%
SBI-0051322.P003
METACRESOL IMPURITY C [EP IMPURITY]
NS00008242
4-Methylphenol 100 microg/mL in Cyclohexane
EN300-19427
p-Cresol, puriss. p.a., >=99.0% (GC)
AMYLMETACRESOL IMPURITY D [EP IMPURITY]
C01468
AB00051955_02
Q312251
SR-05000002037
J-001591
J-515803
SR-05000002037-1
F1908-0066
Z104473818
InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H
2876-02-0
Microorganism:

Yes

IUPAC name4-methylphenol
SMILESCC1=CC=C(C=C1)O
InchiInChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
FormulaC7H8O
PubChem ID2879
Molweight108.14
LogP1.9
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds phenols alkylphenols
CHEBI-ID17847
Supernatural-IDSN0156844

mVOC Specific Details

Boiling Point
DegreeReference
201.9 °C peer reviewed
Volatilization
The Henry's Law constant for p-cresol is 1.0X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that p-cresol 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 approximately 38 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 approximately 281 days(SRC). p-Cresol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). p-Cresol may volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.11 mm Hg at 25 °C(3).
Soil Adsorption
A Koc of 49 was measured for o-cresol in a Brookston clay loam soil using OECD Guideline 106(1). Based on measured Freundlich isotherms for p-cresol in five different horizon soils (organic content of 0.3 to 0.9%)(2), the Koc ranged from 27 to 251 with an average of 173(SRC). Other reported Koc values include a Koc of 500 in soil and 645 in a sediment(3). According to a classification scheme(4), these Koc values indicate that p-cresol is expected to have very high to moderate mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAZhu et al. 2010
ProkaryotaStaphylococcus AureusNANAZhu et al. 2010
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
EukaryotaPhoma Sp.nanaNaznin et al. 2014
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
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
ProkaryotaClostridium Difficilenastool specimens, from patients infected with clostridium difficileKuppusami et al. 2015
ProkaryotaPaenibacillus Polymyxacollection TU GrazRybakova et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTSBSESI-MSno
ProkaryotaStaphylococcus AureusTSBSESI-MSno
ProkaryotaEscherichia ColiTSATD/GC-MSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
EukaryotaPhoma Sp.naSPME-GC/MSno
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaClostridium Difficilebrain heart infusion agar with 7% horse bloodPTR-ToF-MSno
ProkaryotaPaenibacillus PolymyxaGC-MS / SPMEno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno


2-methylfuran-3-thiol

Mass-Spectra

Compound Details

Synonymous names
2-Methyl-3-furanthiol
28588-74-1
2-Methylfuran-3-thiol
3-FURANTHIOL, 2-METHYL-
2-methyl-3-furanethiol
2-Methyl-3-mercaptofuran
2-Methyl-3-furylthiol
2-Methyl-3-furylmercaptan
3-Mercapto-2-methylfuran
2-methyl-furan-3-thiol
FEMA No. 3188
2-methyl-3-sulfanylfuran
2-methyl-3-mercapto-furan
2-Methyl, 3-furanethiol
Furan-3-thiol, 2-methyl
DTXSID5047118
N21RW1N179
Oxycyclothione 030
EINECS 249-094-7
UNII-N21RW1N179
methyl furanthiol
MFCD00010280
2-methyluran-3-thiol
2-methyl-3-furan thiol
SCHEMBL691744
CHEMBL3188696
DTXCID3027118
FEMA 3188
2-Methyl-3-furanthiol (90%)
CHEBI:167074
METHYL-3-FURANTHIOL, 2-
Tox21_302709
2-Methyl-3-furanthiol, 95%, FG
2-Methyl-3-furanthiol (90per cent)
AKOS015897434
2-METHYL-3-FURYLTHIOL [FHFI]
CS-W011245
SB60941
2-Methyl-3-furanthiol, technical grade
NCGC00256792-01
AS-47693
CAS-28588-74-1
DB-021329
M1847
NS00012894
EN300-126929
F15479
Q-100360
Q27284403
Microorganism:

Yes

IUPAC name2-methylfuran-3-thiol
SMILESCC1=C(C=CO1)S
InchiInChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
FormulaC5H6OS
PubChem ID34286
Molweight114.17
LogP1.5
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds ethers furan derivatives heterocyclic compounds sulfur compounds thiols
CHEBI-ID167074
Supernatural-IDSN0335963

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


2-pentylfuran

Mass-Spectra

Compound Details

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

Yes

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

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAHewett et al. 2020
EukaryotaAspergillus Versicolorwild strainsSchleibinger et al. 2005
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaPseudomonas Pseudoalcaligenespromotes the growth of Zea mays L. and confer the resistance to drought stress in this maizeApplied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University IslamabadYasmin et al. 2021
EukaryotaTrichoderma VirideNAMoisan et al. 2021
EukaryotaTrichoderma Asperellumreduce downy mildew severity on Vitis vinifera (grapevine plants)Cotxarrera et al., 2002Lazazzara et al. 2021
EukaryotaTrichoderma Atroviridereduce downy mildew severity on Vitis vinifera (grapevine plants)Pertot et al., 2008Lazazzara et al. 2021
EukaryotaTrichoderma Harzianumreduce downy mildew severity on Vitis vinifera (grapevine plants)Eladet al., 1997Lazazzara et al. 2021
EukaryotaTrichoderma VirideNAHung et al. 2013
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaLaccaria Bicolorn/aNAMueller et al. 2013
EukaryotaPaxillus Involutusn/aNAMueller et al. 2013
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaFomitopsis PinicolanaGermanyRösecke et al. 2000
EukaryotaTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al. 2000
EukaryotaTuber AestivumnaTarsul (as normal forest); Daix (man made orchard)Molinier et al. 2015
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
EukaryotaTrichoderma AtrovirideNAStoppacher et al. 2010
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaLentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBSPME/GC-MSno
EukaryotaAspergillus Versicoloringrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaTrichoderma Viride1/5th PDA mediumGC-MSno
EukaryotaTrichoderma AsperellumPDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma AtroviridePDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma HarzianumPDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPaxillus InvolutusMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaFomitopsis PinicolanaGC/MSno
EukaryotaTrametes SuaveolensnaGC/MSno
EukaryotaTuber AestivumnaSPME-GC/MSno
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno


Furan-2-carbaldehyde

Mass-Spectra

Compound Details

Synonymous names
FURFURAL
2-Furaldehyde
furan-2-carbaldehyde
98-01-1
2-Furancarboxaldehyde
Furaldehyde
Furfuraldehyde
Fural
2-Formylfuran
2-Furanaldehyde
2-Furancarbonal
Furancarbonal
Furfurole
2-Furfural
Furfurylaldehyde
2-Furfuraldehyde
Pyromucic aldehyde
Furale
Furole
Furol
2-Furylaldehyde
2-Furylcarboxaldehyde
2-Furyl-methanal
Furfurale
Furyl-methanal
2-Furylmethanal
2-Furil-metanale
Furan-2-carboxaldehyde
2-furancarbaldehyde
Quakeral
Fufural
alpha-Furole
2-Formylofuran
2-Formyl furan
2-Furankarbaldehyd
Nci-C56177
alpha-Furfuraldehyde
Furfural (natural)
Rcra waste number U125
Furaldehydes
Caswell No. 466
FEMA No. 2489
furan-2-aldehyde
NSC 8841
CCRIS 1044
HSDB 542
CHEBI:34768
UNII-DJ1HGI319P
.alpha.-Furole
EINECS 202-627-7
DJ1HGI319P
MFCD00003229
EPA Pesticide Chemical Code 043301
BRN 0105755
2-furancarboxyaldehyde
DTXSID1020647
AI3-04466
NSC-8841
DTXCID50647
EC 202-627-7
5-17-09-00292 (Beilstein Handbook Reference)
NCGC00091328-01
FURFURAL (IARC)
FURFURAL [IARC]
Furfurale [Italian]
2-Formylofuran [Polish]
2-Furankarbaldehyd [Czech]
CAS-98-01-1
2-Furil-metanale [Italian]
UN1199
RCRA waste no. U125
Hydrojasmal
Furfuralu
a-furfuraldehyde
Qo furfural
a-Furole
alpha-furaldehyde
2-furanal
Furfural ACS grade
furan-2 carbaldehyde
FURFURALDEHYDES
Furfural, 99%
2-Furaldehyde, 8CI
2-furan-carboxaldehyde
2-Furanocarboxyaldehyde
FURFURAL [FHFI]
FURFURAL [HSDB]
FURFURAL [INCI]
FURFURAL [FCC]
FURFURAL [MI]
2-Furylaldehyde xypropane
U1199
WLN: T5OJ BVH
BIDD:ER0698
FURAL/PYROMUCIC ALDEHYDE
Furfural, ACS reagent, 99%
CHEMBL189362
QSPL 006
QSPL 102
FEMA 2489
Furan-2-carbaldehyde (Furfural)
NSC8841
Furfural, >=98%, FCC, FG
Furfural, for synthesis, 98.0%
STR00358
Tox21_111114
Tox21_202191
Tox21_300170
BDBM50486229
Furaldehydes [UN1199] [Poison]
STL283124
AKOS000118907
AM81812
Furfural, analytical reference material
MCULE-5757882837
Furfural 100 microg/mL in Acetonitrile
USEPA/OPP Pesticide Code: 043301
Furfural, natural, >=98%, FCC, FG
Furfural, SAJ first grade, >=99.0%
NCGC00091328-02
NCGC00091328-03
NCGC00091328-04
NCGC00253954-01
NCGC00259740-01
BP-31002
DB-003668
CS-0015696
F0073
NS00003316
EN300-18110
ASCORBIC ACID IMPURITY A [EP IMPURITY]
A845786
Q412429
F1294-0048
InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4
furfural; furfuraldehyde; furfurol; 2-furaldehyde; 2-furancarboxaldehyde; furan-2-carboxaldehyde
Microorganism:

Yes

IUPAC namefuran-2-carbaldehyde
SMILESC1=COC(=C1)C=O
InchiInChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
FormulaC5H4O2
PubChem ID7362
Molweight96.08
LogP0.4
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds aldehydes furan derivatives
CHEBI-ID34768
Supernatural-IDSN0138568

mVOC Specific Details

Boiling Point
DegreeReference
161.7 °C peer reviewed
Volatilization
The Henry's Law constant for furfural is estimated as 3.8X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2.21 mm Hg(1), and water solubility, 7.41X10+4 mg/L(2). This Henry's Law constant indicates that furfural is expected to volatilize 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 9.6 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)(3) is estimated as 73 days(SRC). Furfural's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of furfural from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 140 (2003) (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 furfural is estimated as 40(SRC), using a log Kow of 0.41(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that furfural 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. 11 (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
2.21 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.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaPseudomonas AeruginosaNANANeerincx et al. 2016
ProkaryotaStaphylococcus EpidermidisDSMZ - Deutsche Sammlung von Mikroorganismen und ZellkulturenVerhulst et al. 2009
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaCellulomonas Udan/aNABlom et al. 2011
ProkaryotaBurkholderia Caledonican/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaCupriavidus Necatorn/aNABlom et al. 2011
ProkaryotaPandoraea Norimbergensisn/aNABlom et al. 2011
ProkaryotaPseudomonas Aeruginosan/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
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Sordidicolan/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaFusarium Culmorumnasandy dune soil, NetherlandsSchmidt et al. 2015
EukaryotaCeratocystis Sp.Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.NAStotzky and Schenck 1976
EukaryotaThielaviopsis BasicolaProbably an active stimulator of germinatinon of uredospores of Puccinia graminis.NAStotzky and Schenck 1976
EukaryotaPuccinia GraminisProbably an active stimulator of germinatinon of uredospores of Puccinia graminis.NAStotzky and Schenck 1976
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
EukaryotaFomitopsis PinicolanaGermanyRösecke et al. 2000
EukaryotaPleurotus EryngiinanaUsami et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaBrain Heart InfusionTD/GC-MSno
ProkaryotaStaphylococcus Epidermidisblood agarGC-MSno
ProkaryotaBacillus CereusMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCellulomonas UdaLB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaledonicaMR-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
ProkaryotaCupriavidus NecatorMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPandoraea NorimbergensisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas AeruginosaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas ChlororaphisMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AndropogonisMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SordidicolaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaMSHeadspace 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
ProkaryotaEscherichia ColiMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
EukaryotaTuber Aestivumn/an/ano
EukaryotaFusarium Culmorumwater agar supplied with artificial root exudatesGC/MS-Q-TOFno
EukaryotaCeratocystis Sp.n/an/ano
EukaryotaThielaviopsis Basicolan/an/ano
EukaryotaPuccinia Graminisn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
EukaryotaFomitopsis PinicolanaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
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


3-propylphenol

Compound Details

Synonymous names
3-n-Propylphenol
3-Propylphenol
621-27-2
m-Propylphenol
Phenol, 3-propyl-
Phenol, m-propyl-
1-Hydroxy-3-n-propylbenzene
593R721CIC
MFCD01632130
NSC-46998
UNII-593R721CIC
3-propyl-phenol
EINECS 210-675-5
NSC 46998
3-Propylphenol, AldrichCPR
SCHEMBL216654
CHEMBL467077
DTXSID10211145
NSC46998
AKOS006230617
DS-12530
NS00034925
F71517
A868549
J-650345
Q27261643
Microorganism:

No

IUPAC name3-propylphenol
SMILESCCCC1=CC(=CC=C1)O
InchiInChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3
FormulaC9H12O
PubChem ID69302
Molweight136.19
LogP2.9
Atoms10
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds phenols benzenoids
Supernatural-IDSN0232161

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no


5-methyl-2-propylphenol

Compound Details

Synonymous names
31143-55-2
5-Methyl-2-propylphenol
m-Cresol, 6-propyl-
6-Propyl-m-cresol
5-METHYL-2-PROPYL-PHENOL
6-n-Propyl-m-cresol
Phenol, 5-methyl-2-propyl-
BRN 2082497
2-propyl-5-methylphenol
5-Methyl-2-propylphenol #
4-06-00-03323 (Beilstein Handbook Reference)
Phenol, 3-methyl-6-propyl-
SCHEMBL453518
m-CRESOL, 6-n-PROPYL-
DTXSID70185075
AKOS028108424
Microorganism:

No

IUPAC name5-methyl-2-propylphenol
SMILESCCCC1=C(C=C(C=C1)C)O
InchiInChI=1S/C10H14O/c1-3-4-9-6-5-8(2)7-10(9)11/h5-7,11H,3-4H2,1-2H3
FormulaC10H14O
PubChem ID35743
Molweight150.22
LogP3.3
Atoms11
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds phenols benzenoids
Supernatural-IDSN0245062

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no


2,6-ditert-butyl-4-methylphenol

Mass-Spectra

Compound Details

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

Yes

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

mVOC Specific Details

Boiling Point
DegreeReference
265 °C peer reviewed
Volatilization
The Henry's Law constant for 2,6-di-t-butyl-p-cresol is estimated as 2.5X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 120 days when adsorption is considered(3). 2,6-Di-t-butyl-p-cresol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2,6-Di-t-butyl-p-cresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.16X10-3 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw-Hill (1984) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,6-di-t-butyl-p-cresol can be estimated to be 1.5X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,6-di-t-butyl-p-cresol is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 3, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5.16X10-3 mm Hg at 25 deg CPerry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw-Hill (1984)
MS-Links
1D-NMR-Links
Massbank-Links

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


3-ethyl-5-methylphenol

Mass-Spectra

Compound Details

Synonymous names
3-ETHYL-5-METHYLPHENOL
698-71-5
m-Cresol, 5-ethyl-
3-Methyl-5-ethylphenol
Phenol, 3-ethyl-5-methyl-
5-Ethyl-m-cresol
1-Hydroxy-3-methyl-5-ethylbenzene
ZV1NMG73ZT
NSC-8885
NSC-62673
NSC 8885
3-ethyl-5-methyl-phenol
UNII-ZV1NMG73ZT
EINECS 211-818-4
NSC 62673
5-Ethyl-3-methylphenol
AI3-24210
5-Ethyl-m-cresol, 8CI
SCHEMBL911575
m-Cresol, 5-ethyl- (8CI)
DTXSID60220101
NSC8885
CHEBI:196443
NSC62673
Phenol, 3-ethyl-5-methyl- (9CI)
AKOS006273528
MCULE-4765819333
AS-57682
DB-074229
A9238
CS-0186818
NS00036977
D84187
Q27295901
6-Chloro-3,7-dimethyl-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
Microorganism:

Yes

IUPAC name3-ethyl-5-methylphenol
SMILESCCC1=CC(=CC(=C1)C)O
InchiInChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
FormulaC9H12O
PubChem ID12775
Molweight136.19
LogP2.8
Atoms10
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds phenols benzenoids
CHEBI-ID196443
Supernatural-IDSN0439370

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber BrumaleFortywoodland of the Basilicata regionMauriello et al. 2004
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
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Brumalemicroextraction-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
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


3-ethylphenol

Mass-Spectra

Compound Details

Synonymous names
3-ETHYLPHENOL
620-17-7
m-Ethylphenol
Phenol, 3-ethyl-
Phenol, m-ethyl-
1-Ethyl-3-hydroxybenzene
1-Hydroxy-3-ethylbenzene
meta-Ethylphenol
3-Ethyl-phenol
3-ETHYL PHENOL
MFCD00002311
0G9ZK222JX
DTXSID0022480
CHEBI:34332
NSC-8873
3-Ethylphenol 100 microg/mL in Methanol
DTXCID402480
CAS-620-17-7
Benzene, 1-ethyl-3-hydroxy-
HSDB 5720
NSC 8873
EINECS 210-627-3
UNII-0G9ZK222JX
AI3-19938
m-Ethyl phenol
Isobutylsalicylate
3-Ethylphenol, 99%
ETHYLPHENOL, 3-
SCHEMBL51757
3-ETHYLPHENOL [HSDB]
BIDD:ER0180
CHEMBL58052
NSC8873
Tox21_201623
Tox21_302992
STL481945
3-Ethylphenol, >=95.0% (GC)
3-Ethylphenol, technical grade, 80%
AKOS000120810
MCULE-6091136568
NCGC00249086-01
NCGC00256388-01
NCGC00259172-01
LS-09015
SY026494
DB-030920
A8582
E0161
NS00010664
EN300-20883
D78431
3-Ethylphenol, PESTANAL(R), analytical standard
Q-200377
Q4634135
InChI=1/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H
Microorganism:

Yes

IUPAC name3-ethylphenol
SMILESCCC1=CC(=CC=C1)O
InchiInChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
FormulaC8H10O
PubChem ID12101
Molweight122.16
LogP2.4
Atoms9
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds phenols benzenoids
CHEBI-ID34332
Supernatural-IDSN0129668

mVOC Specific Details

Boiling Point
DegreeReference
218.4 DEG C @ 760 MM HGLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995., p. 3-256
Volatilization
The Henry's Law constant for 3-ethylphenol is estimated as 1.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 3-ethylphenol will volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 37 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 274 days(2,SRC). 3-Ethylphenol's values for vapor pressure(4) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil surfaces is possible, but not likely to be a major fate process for this compound(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985) (4) Biddiscombe DP et al; J Chem Soc. pp. 5764-8 (1963)
Solubility
SLIGHTLY SOLUBLE IN WATER, CHLOROFORM; VERY SOLUBLE IN ALCOHOL, ETHER
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995., p. 3-256
Soil Adsorption
The Koc of 3-ethylphenol is estimated as approximately 480(SRC), using a measured log Kow of 2.40(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 3-ethylphenol has moderate mobility in soil(SRC).
Literature: (1) Hansch C, Leo AJ; Pomona College Medicinal Chemistry Project. Claremont, CA. Log P Database (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
0.05 mm Hg at 25 deg CBiddiscombe DP et al; J Chem Soc 5764-8 (1963)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLactobacillus PlantarumNAYang et al. 2022
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no


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


1,3-xylene

Mass-Spectra

Compound Details

Synonymous names
M-XYLENE
1,3-Dimethylbenzene
108-38-3
1,3-Xylene
meta-Xylene
m-Xylol
m-Dimethylbenzene
m-Methyltoluene
Benzene, 1,3-dimethyl-
3-Xylene
1,3-Dimethylbenzol
Santosol 150
m-Xylenes
2,4-Xylene
CCRIS 907
NSC 61769
HSDB 135
UNII-O9XS864HTE
EINECS 203-576-3
O9XS864HTE
DTXSID6026298
CHEBI:28488
AI3-08916
NSC-61769
CHEMBL286727
DTXCID501446
EC 203-576-3
M-XYLENE-ALPHA,ALPHA'-13C2
MFCD00008536
68908-87-2
Xylene, m-
Benzene, m-dimethyl-
CAS-108-38-3
EINECS 272-684-0
metaxylene
M xylene
1,3-dimethyl-benzene
m-Xylene [UN1307] [Flammable liquid]
DSSTox_CID_1446
M-XYLENE [MI]
3-XYLENE [HSDB]
bmse000554
DSSTox_RID_76162
DSSTox_GSID_21446
m-Xylene, analytical standard
BENZENE,1,3-DIMETHYL
WLN: 1R C1
m-Xylene, anhydrous, >=99%
m-Xylene, for synthesis, 99%
DTXSID50178041
m-Xylene, ReagentPlus(R), 99%
NSC61769
m-Xylene 10 microg/mL in Methanol
Tox21_200292
Tox21_202056
Tox21_303203
BDBM50008556
STL268867
m-Xylene 100 microg/mL in Methanol
AKOS000121123
MCULE-9376558510
NCGC00091711-01
NCGC00091711-02
NCGC00091711-03
NCGC00257052-01
NCGC00257846-01
NCGC00259605-01
m-Xylene, SAJ first grade, >=98.5%
CAS-1330-20-7
NS00010709
NS00125194
S0648
X0013
EN300-24548
m-Xylene, puriss. p.a., >=99.0% (GC)
C07208
J-503933
Q3234708
F1908-0174
InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H
m-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC name1,3-xylene
SMILESCC1=CC(=CC=C1)C
InchiInChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
FormulaC8H10
PubChem ID7929
Molweight106.16
LogP3.2
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID28488
Supernatural-IDSN0156540

mVOC Specific Details

Boiling Point
DegreeReference
139.1 °C peer reviewed
Volatilization
The Henry's Law constant for 3-xylene is measured as 7.18X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 3-xylene 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 3.1 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). 3-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 3-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.29 mm Hg at 25 deg C(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Literature: #An experiment which measured the rate of evaporation of m- and p-xylene from a 1:1000 jet fuel:water mixture found that it averaged 0.64 times the oxygen reaeration rate(1).
Literature: (1) Smith JH, Harper JC; pp.336-53 in 12th Conf Environ Toxicol: Behavior of Hydrocarbon Fuels in the Aquatic Environment (1980)
Soil Adsorption
A Koc value of 166 was measured for 3-xylene using sandy aquifer materials with an foc ranging from 0.0002 to 0.0225(1). Measured Koc values in soil have been reported to be 182(2), 166 and 275(3). According to a classification scheme(3), these Koc values suggest that 3-xylene is expected to have moderate mobility in soil. A Kp value (equilibrium-sorption coefficient) of 0.049 was measured for 3-xylene using a Borden soil column (98% sand, 0.29% organic carbon)(5). Benzene/toluene/xylene mixtures containing 3-xylene, were added to soil columns using aquifer material from the Cohansey aquifer (90% sand; 4.4% organic matter; pH-3.8); a partition coefficient of 8.74 was measured for 3-xylene(6). Adsorption coefficient values of 0.25, 0.23, and 0.02 were measured for 3-xylene, present in a benzene/toluene/ethylbenzene/xylene mixture, on montmorillonite, illite, and kaolinite (all with low to no organic carbon present), respectively, using a batch equilibrium technique(7). More 3-xylene vapor was sorbed by air-dry than oven-dry soil (Evesham clay; air-dry soil contained 37 g organic C, 350 g clay, and 60 g water/kg oven-dry soil) at relative vapor pressures of 3-xylene exceeding 0.6; this suggests that the planar 3-xylene molecule is either readily adsorbed by interlayer sites in the air-dry soil (more sites potentially available than in oven-dry soil) or, as it is a fairly soluble molecule, that some will dissolve in the water film in air-dry soil(8). 3-Xylene has been observed to pass through soil unchanged in concentration at a dune-infiltration site on the Rhine River(9). A soil leaching column study estimated a 3-xylene Koc of 282 using a chromatographic methodology(10).
Literature: (1) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (2) Sabljic A; Environ Sci Technol 21: 358-66 (1987) (3) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supporting information) (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Hu Q et al; Environ Toxicol Chem 14: 1133-40 (1995) (6) Uchrin CG, Katz J; Bull Environ Contam Toxicol 46: 534-41 (1991) (7) Li Y, Gupta G; Chemosphere 28: 627-38 (1994) (8) Nye PH et al; J Environ Qual 23: 1031-37 (1994) (9) Piet GJ et al; Quality of Groundwater Int Symp Proc Von Duijvanbouden W et al, eds. Studies Environ Sci 17: 557-64 (1981) (10) Xu F et al; J Environ Qual 30: 1618-1623 (2001)
Vapor Pressure
PressureReference
8.29 mm Hg at 25 deg CChao J et al; J Phys Chem Ref data 12: 1033-63 (1983)
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
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
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaFusarium GraminearumBallot et al. 2023
ProkaryotaMicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaPaecilomyces VariotiiDG18,MEAGC/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
EukaryotaFusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


1,4-xylene

Mass-Spectra

Compound Details

Synonymous names
P-XYLENE
1,4-Dimethylbenzene
Para-Xylene
106-42-3
1,4-Xylene
p-Methyltoluene
p-Dimethylbenzene
p-Xylol
Benzene, 1,4-dimethyl-
4-Xylene
4-Methyltoluene
Chromar
Scintillar
1,4-Dimethylbenzol
paraxylene
CCRIS 910
NSC 72419
HSDB 136
EINECS 203-396-5
UNII-6WAC1O477V
6WAC1O477V
DTXSID2021868
CHEBI:27417
AI3-52255
NSC-72419
68650-36-2
CHEMBL31561
p-Xylene-alpha,alpha'-13C2
DTXCID701868
EC 203-396-5
MFCD00008556
Xylene, p-
Benzene, p-dimethyl-
p-Xylenes
Xylene, p-isomer
PXY
p-Xylol (DOT)
1,4-dimethyl benzene
1,4-dimethyl-benzene
P-XYLENE [MI]
4-XYLENE [HSDB]
bmse000834
p-Xylene, analytical standard
BENZENE,1,4-DIMETHYL
WLN: 1R D1
p-Xylene, anhydrous, >=99%
p-Xylene, for synthesis, 99%
DTXSID90178045
187l
p-Xylene, for HPLC, >=99%
p-Xylene, ReagentPlus(R), 99%
NSC72419
p-Xylene 10 microg/mL in Methanol
Tox21_201113
BDBM50008567
Benzene, 1,2(or 1,4)-dimethyl-
c0083
STL264212
AKOS000121124
MCULE-3769448716
p-Xylene 5000 microg/mL in Methanol
p-Xylene, purum, >=98.0% (GC)
NCGC00091661-01
NCGC00091661-02
NCGC00258665-01
68411-39-2
CAS-106-42-3
p-Xylene, SAJ first grade, >=99.0%
p-Xylene [UN1307] [Flammable liquid]
p-Xylene, SAJ special grade, >=99.0%
NS00001217
S0649
X0014
X0044
EN300-24549
p-Xylene, puriss. p.a., >=99.0% (GC)
C06756
J-001588
J-524068
Q3314420
F0001-0120
Z199056432
InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H
p-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material
136777-61-2
25951-90-0
Microorganism:

Yes

IUPAC name1,4-xylene
SMILESCC1=CC=C(C=C1)C
InchiInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
FormulaC8H10
PubChem ID7809
Molweight106.16
LogP3.2
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID27417
Supernatural-IDSN0378172

mVOC Specific Details

Boiling Point
DegreeReference
138.3 °C peer reviewed
Volatilization
The Henry's Law constant for 4-xylene is measured as 6.90X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 4-xylene 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 3.1 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). 4-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.84 mm Hg(3).
Literature: (1) Foster P et al; Fresen Environ Bull 3: 318-323 (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Soil Adsorption
Koc values of 246 and 540 have been measured for 4-xylene in silt and sandy loam soils respectively(1). A Koc value of 204 was measured for 4-xylene using sandy aquifer materials(2). A median experimental Koc value of 295 has also been reported(3). According to a classification scheme(4), these Koc values suggest that 4-xylene is expected to have moderate to low mobility in soil. A soil leaching column study estimated a 4-xylene Koc of 331 using a chromatographic methodology(5). Another soil column leaching study estimated a Koc range of 118-298 based on HPLC measurement(6).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-558 (1992) (2) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (3) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supporting information) (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Xu F et al; J Environ Qual 30: 1618-1623 (2001) (6) ECHA; Search for Chemicals. p-Xylene (CAS 106-42-3) Registered Substances Dossier. European Chemical Agency; Available from, as of June 27, 2016: http://echa.europa.eu/
Vapor Pressure
PressureReference
8.84 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-66 (1983)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaEscherichia ColiNACeleiro et al. 2020
ProkaryotaProteus MirabilisNACeleiro et al. 2020
ProkaryotaPseudomonas AeruginosaNACeleiro et al. 2020
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
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
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara 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
EukaryotaKluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
ProkaryotaStaphylococcus EpidermidisBHI media, MHB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaEscherichia ColiSPME/GC-MSno
ProkaryotaProteus MirabilisSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaSPME/GC-MSno
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTrichoderma PseudokoningiiMalt extractGC/MSno
EukaryotaPaecilomyces VariotiiDG18,MEAGC/MSno
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF 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
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno


Ethylbenzene

Mass-Spectra

Compound Details

Synonymous names
ETHYLBENZENE
100-41-4
Phenylethane
Ethylbenzol
Benzene, ethyl-
Ethyl benzene
Aethylbenzol
Ethylenzene
Ethylbenzeen
Etilbenzene
Etylobenzen
alpha-Methyltoluene
1-ethylbenzene
NCI-C56393
HSDB 84
CCRIS 916
NSC 406903
EINECS 202-849-4
UNII-L5I45M5G0O
L5I45M5G0O
.alpha.-Methyltoluene
DTXSID3020596
ETHYL-BENZENE
CHEBI:16101
AI3-09057
EB
NSC-406903
DTXCID10596
CHEMBL371561
ETHYL-BETA,BETA,BETA-D3-BENZENE
EC 202-849-4
ETHYLBENZENE (IARC)
ETHYLBENZENE [IARC]
Benzene-d5, ethyl-d5-
158507-69-8
68908-88-3
ETHYLBENZENE (USP-RS)
ETHYLBENZENE [USP-RS]
Ethylbenzeen [Dutch]
Etylobenzen [Polish]
20302-26-5
Aethylbenzol [German]
Etilbenzene [Italian]
287399-33-1
UN1175
etph
1-phenylethane
PYJ
EINECS 272-685-6
ETHYLBENZENE [MI]
Ethylbenzene [UN1175] [Flammable liquid]
ETHYLBENZENE [HSDB]
WLN: 2R
BIDD:ER0246
ghl.PD_Mitscher_leg0.1024
NSC 406903, Phenylethane
QSPL 092
Ethylbenzene, analytical standard
DTXSID00169202
DTXSID30178044
Ethylbenzene, anhydrous, 99.8%
NCI C56393
AMY11052
Tox21_201064
BDBM50167951
Ethylbenzene, ReagentPlus(R), 99%
MFCD00011647
NSC406903
STL282714
AKOS000120140
MCULE-6974188032
UN 1175
NCGC00090768-01
NCGC00090768-02
NCGC00258617-01
27536-89-6
70955-17-8
BS-18982
CAS-100-41-4
Ethylbenzene 10 microg/mL in Cyclohexane
Ethylbenzene 100 microg/mL in Cyclohexane
DB-045168
E0064
NS00009164
S0646
C07111
Q409184
J-000128
J-521339
F0001-0016
Z104473632
Ethylbenzene, United States Pharmacopeia (USP) Reference Standard
InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H
Ethylbenzene, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC nameethylbenzene
SMILESCCC1=CC=CC=C1
InchiInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
FormulaC8H10
PubChem ID7500
Molweight106.16
LogP3.1
Atoms8
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID16101
Supernatural-IDSN0455372

mVOC Specific Details

Boiling Point
DegreeReference
136.2 °C peer reviewed
Volatilization
The Henry's Law constant for ethylbenzene is 7.88X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that ethylbenzene 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 3.1 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). Ethylbenzene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Ethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.6 mm Hg(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp, (1996)
Soil Adsorption
Measured ethylbenzene Koc values of 224(1), 240(2) and 257(3) have been reported. According to a classification scheme(4), these Koc values suggest that ethylbenzene is expected to have moderate mobility in soil. Sorption and desorption experiments demonstrated that the sorption process of ethylbenzene on marine sediments is reversible and that the sorption is even lower than expected from the log Kow data and the organic carbon content of the sediment(5); it was concluded that the marine sediment compartment is not an important sink for ethylbenzene(5). A soil leaching column study estimated an ethylbenzene Koc of 240 using a chromatographic methodology(6).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supporting information) (2006) (2) ATSDR; Toxicological Profile for Ethylbenzene. Atlanta, GA: Agency for Toxic Substances and Disease Registry, US Public Health Service (2010). Available from, as of June 15, 2016: http://www.atsdr.cdc.gov/toxprofiles/index.asp (3) Szabo G; Chemosphere 24: 403-412 (1992) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Dewulf J et al; Water Research 30: 3130-3138 (1996) (6) Xu F et al; J Environ Qual 30: 1618-1623 (2001)
Vapor Pressure
PressureReference
9.6 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
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaIgnatzschineria Indicapig (Sus scrofa domesticus) carcassCernosek et al. 2020
ProkaryotaKlebsiella Pneumoniaeclinical isolate,bacteremic patientsRees et al. 2017
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 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
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
EukaryotaTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaIgnatzschineria IndicaNutrient AgarSPME-GC-MSyes
ProkaryotaKlebsiella PneumoniaeBHI, LB, MHB, TSBSPME / GCxGC-TOFMSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStaphylococcus EpidermidisBHI media, MHB 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
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
EukaryotaTuber Borchiiyes
ProkaryotaPseudomonas Sp.nutrient agar (NA)GC–MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no


1,2,4-trimethylbenzene

Mass-Spectra

Compound Details

Synonymous names
1,2,4-TRIMETHYLBENZENE
95-63-6
Pseudocumene
Pseudocumol
Psi-cumene
as-Trimethylbenzene
1,3,4-Trimethylbenzene
Benzene, 1,2,4-trimethyl-
Uns-trimethylbenzene
1,2,5-Trimethylbenzene
Asymmetrical trimethylbenzene
.psi.-Cumene
pseudo-cumene
1,2,4-trimethyl-benzene
1,2,4-Trimethyl benzene
Benzene, 1,2,5-trimethyl-
NSC 65600
DTXSID6021402
CHEBI:34039
NSC-65600
34X0W8052F
DTXCID701402
CAS-95-63-6
1,2,4-Trimethylbenzene, analytical standard
HSDB 5293
EINECS 202-436-9
pseudo cumene
AI3-03976
CCRIS 8146
UNII-34X0W8052F
1,4-Trimethylbenzene
PSUEDO-CUMENE
laquo Psiraquo -Cumene
METHYL-P-XYLENE
Benzene,2,4-trimethyl-
PSEUDOCUMENE [MI]
1,2,5-trimethyl-benzene
1,2, 4-Trimethylbenzene
EC 202-436-9
BIDD:ER0682
TRIMETHYLBENZENE [INCI]
1.2.4-TRIMETHYLBENZENE
CHEMBL1797280
WLN: 1R B1 D1
1,2,4-Trimethylbenzene, 98%
21 - VOCs (Perkin Elmer tubes)
NSC65600
TRIMETHYLBENZENE, 1,2,4-
Tox21_200518
Tox21_300049
MFCD00008527
STL268868
06C - Benzene, Toluene and Xylenes
AKOS000120059
1,2,4-Trimethylbenzene (pseudocumene)
MCULE-5935311187
1,2,4-TRIMETHYLBENZENE [HSDB]
NCGC00247891-01
NCGC00247891-02
NCGC00254118-01
NCGC00258072-01
PS-11947
1,2,4-Trimethylbenzene (ACD/Name 4.0)
NS00006467
S0662
T0469
EN300-20076
A937622
Q376994
1,2,4-Trimethylbenzene 100 microg/mL in Methanol
F0001-2275
Z104476700
1,2,4-Trimethylbenzene, certified reference material, TraceCERT(R)
InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H
XBZ
Microorganism:

Yes

IUPAC name1,2,4-trimethylbenzene
SMILESCC1=CC(=C(C=C1)C)C
InchiInChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
FormulaC9H12
PubChem ID7247
Molweight120.19
LogP3
Atoms9
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID34039
Supernatural-IDSN0117064

mVOC Specific Details

Boiling Point
DegreeReference
168.89 °C peer reviewed
Volatilization
The Henry's Law constant for 1,2,4-trimethylbenzene was measured as 6.16X10-3 atm-cu m/mol(1). This value indicates that 1,2,4-trimethylbenzene will volatilize from moist soil and water surfaces(2). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is approximately 3 hours(SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is approximately 4 days(SRC). Volatilization of 1,2,4-trimethylbenzene from dry soil surfaces is expected(SRC) based upon its vapor pressure of 2.1 mm Hg(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Literature: #Complete removal of 1,2,4-trimethylbenzene (at 0.068 ug/mL soil extract) from sandy loam soil samples contaminated with jet fuel was reported within 5 days; sterile samples with 1,2,4-trimethylbenzene at 0.057 ug/mL soil extract also showed complete removal of this compound within 5 days, probably through evaporation(1). Jet fuel added to water (and then stirred) had an average volatilization ratio (volatilization rate constant of the compound/oxygen reaeration rate constant) of 0.59 for JP-4 fuel and a ratio of 0.45 for JP-8 fuel for the 1,2,4-trimethylbenzene component, indicating high volatility of this compound from water(2).
Literature: (1) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993) (2) Smith JH, Harper JC; pp. 336-53 in Proceed 12th Conf on Environ Toxicol 3, 4, and 5. Nov. 1981. Airforce Aerospace Medical Research Lab. Ohio (1982)
Soil Adsorption
A Koc value of 537 was measured for 1,2,4-trimethylbenzene in a German soil (80.5% sand 12.3% silt, 7.2% clay, 2.48% organic carbon). According to a suggested classification scheme(2), this Koc value suggests that 1,2,4-trimethylbenzene will have low mobility in soil(SRC).
Literature: (1) Brusseau ML; Environ Toxicol Chem 12: 1835-46 (1993) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
2.10 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
ProkaryotaStreptococcus Mutans as a biomarker for a breath test for detection of cariesNAHertel et al. 2016
ProkaryotaPropionibacterium Acidifaciens as a biomarker for a breath test for detection of cariesNAHertel et al. 2016
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
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
ProkaryotaSerratia Sp.NANAEtminani et al. 2022
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus MuralisNA mediaSPME/GC-MSno
ProkaryotaBacillus PumilusNA mediaSPME/GC-MSno
ProkaryotaNovosphingobium LindaniclasticumNA mediaSPME/GC-MSno
ProkaryotaBacillus SubtilisNA mediaSPME/GC-MSno
ProkaryotaBacillus AmyloliquefaciensNA mediaSPME/GC-MSno
ProkaryotaBacillus MegateriumNA mediaSPME/GC-MSno
ProkaryotaStreptococcus MutansBrain-Heart-Infusion agarTenax-trap/GC-MSno
ProkaryotaPropionibacterium AcidifaciensBrain-Heart-Infusion agarTenax-trap/GC-MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaSerratia 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


1,2-xylene

Mass-Spectra

Compound Details

Synonymous names
O-XYLENE
1,2-Dimethylbenzene
1,2-Xylene
95-47-6
Ortho-Xylene
Xylene
o-Xylol
o-Methyltoluene
2-Xylene
o-Dimethylbenzene
Benzene, 1,2-dimethyl-
3,4-Xylene
1,2-Dimethylbenzol
o-Xylenes
Xylene, o-
Dimethylbenzene
Benzene, o-dimethyl-
2-Methyltoluene
orthoxylene
NSC 60920
Benzene, dimethyl-
DTXSID3021807
CHEBI:28063
NSC-60920
o-Xylene-dimethyl-13C2
P-XYLENE-A,A,A-D3
1,2-XYLOL
BENZENE,1,2-DIMETHYL
CHEMBL45005
DTXCID501807
Z2474E14QP
MFCD00008519
68411-84-7
CCRIS 905
HSDB 134
EINECS 202-422-2
UNII-Z2474E14QP
dimethyl benzene
dimethyl-benzene
AI3-08197
Xylenes ACS
Xylene, o-isomer
1,2-dimethyl-benzene
o-Xylene, HPLC Grade
O-XYLENE [MI]
2-XYLENE [HSDB]
bmse000526
EC 202-422-2
o-Xylene, anhydrous, 97%
o-Xylene, analytical standard
o-Xylene, for HPLC, 98%
WLN: 1R B1
o-Xylene, for synthesis, 98%
DTXSID10178042
188l
o-Xylene, Spectrophotometric Grade
NSC60920
o-Xylene 10 microg/mL in Methanol
Tox21_200658
BDBM50008560
STL264206
o-Xylene 100 microg/mL in Methanol
AKOS000269058
o-Xylene, reagent grade, >=98.0%
MCULE-2208963094
CAS-95-47-6
NCGC00091662-01
NCGC00091662-02
NCGC00091662-03
NCGC00258212-01
o-Xylene, spectrophotometric grade, 98%
BS-20678
o-Xylene [UN1307] [Flammable liquid]
o-Xylene, SAJ special grade, >=98.5%
DB-257286
NS00007915
S0650
X0012
EN300-25617
o-Xylene, puriss. p.a., >=99.0% (GC)
C07212
Q2988108
F1908-0112
InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H
o-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material
Xy
Microorganism:

Yes

IUPAC name1,2-xylene
SMILESCC1=CC=CC=C1C
InchiInChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
FormulaC8H10
PubChem ID7237
Molweight106.16
LogP3.1
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID28063
Supernatural-IDSN0055303

mVOC Specific Details

Boiling Point
DegreeReference
144.5 °C peer reviewed
Volatilization
The Henry's Law constant for 2-xylene has been measured as 5.18X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 2-xylene 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 3.2 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). 2-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.65 mm Hg at 25 deg C(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 18: 1111-230 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1996)
Soil Adsorption
Koc values measured for 2-xylene in various soils (% organic matter) were 24 in Wendover silty clay (16.2%), 26 in Vaudreil sand loam (10.0%), 68 in St. Thomas sand (3.1%), and 138 in Grimsby silt loam (1.0%)(1). Batch adsorption tests, using three solid sandy aquifer materials gave a Koc of 129(2). The Koc for 2-xylene in surface sediments collected from the central Tamar estuary in the UK was 25.4(3). The Koc values for 2-xylene in two river sediments (% organic matter 6.5-16.9 wt%) was 209 and 251, respectively(4). According to a classification scheme(5), these measured Koc values suggests that 2-xylene is expected to have very high to moderate mobility in soil. Using OECD Guideline 121 (estimating Koc via HPLC), the Koc of 2-xylene was estimated to be 537(6). Concentration enhancement has been observed for 2-xylene in a dune-infiltration project on the Rhine River(7); however, no 2-xylene reached groundwater under a rapid infiltration site(8). The log Koc for 2-xylene in coal sediment (% organic matter 52 wt%) was 2.40(4).
Literature: (1) Nathwani JS, Phillip CR; Chemosphere 6: 157-62 (1977) (2) Abdul AS, Gibson TL, Rai DN; S Haz Waste Haz Mat 4: 211-22 (1987) (3) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (4) Kopinke FD et al; Environ Sci Technol 29: 941-50 (1995) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) ECHA; Search for Chemicals. o-Xylene (CAS 95-47-6) Registered Substances Dossier. European Chemical Agency. Available from, as of June 20, 2015: http://echa.europa.eu/ (7) Piet GJ et al; Quality of groundwater. Van Dwjvenbooden W et al, eds; Studies in Environ Sci 17: 557-64 (1981) (8) Tomson MB et al; Water Res 15: 1109-16 (1981)
Vapor Pressure
PressureReference
6.65 mm Hg at 25 deg C /extrapolated/Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1996)
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
ProkaryotaMycobacterium TuberculosisNANAMellors et al. 2018
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaFusarium GraminearumBallot et al. 2023
ProkaryotaMicrobacteriumBallot et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaMycobacterium Tuberculosis7H9TD/GCxGC-MSno
ProkaryotaStaphylococcus EpidermidisBHI media, MHB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaPaecilomyces VariotiiDG18,MEAGC/MSno
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
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
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
EukaryotaFusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaTenax/GC/MSno


(E)-2-phenylbut-2-enal

Compound Details

Synonymous names
2-PHENYL-2-BUTENAL
(E)-2-phenylbut-2-enal
2-Phenylbutenal
2-Phenylcrotonaldehyde
4411-89-6
alpha-Phenylcrotonaldehyde
(E)-2-Phenylcrotonaldehyde
2-Phenyl-2-butenal, (2E)-
2-Butenal, 2-phenyl
alpha-Ethylidenebenzeneacetaldehyde
FEMA No. 3224, E-
N8EMO6YRV9
55088-52-3
54075-09-1
2-phenylbut-2-enal
2-Phenyl-2-buten-1-al
UNII-N8EMO6YRV9
Crotonaldehyde, 2-phenyl-
UNII-E8991Q8HSC
FEMA No. 3224
Phenylcrotonaldehyd
2-Phenyl-2-butenal, (E)+(Z)
EINECS 224-567-0
2-Phenyl-Crotonaldehyde
Benzeneacetaldehyde, alpha-ethylidene-, (E)-
(2e)-2-phenyl-2-butenal
(2E)-2-phenylbut-2-enal
Benzeneacetaldehyde, alpha-ethylidene-, (alphaE)-
SCHEMBL950633
a-Ethylidene-Benzeneacetaldehyde
E8991Q8HSC
CHEBI:89904
FEMA 3224
2-Phenyl-2-butenal,(E)+(Z)
alpha -ethylidenbenzeneacetaldehyde
DYAOGZLLMZQVHY-MBXJOHMKSA-N
alpha-Ethylidene-Benzeneacetaldehyde
alpha -ethylidene-phenylacetaldehyde
a-Ethylidenebenzeneacetaldehyde, 9CI
EINECS 259-476-5
MFCD00053158
alpha -ethylidene benzene acetaldehyde
AKOS025396900
2-Phenylacetaldehyde, alpha -ethylidene
NS00049278
Q27162088
BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-, (E)-
BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-, (.ALPHA.E)-
Microorganism:

Yes

IUPAC name(E)-2-phenylbut-2-enal
SMILESCC=C(C=O)C1=CC=CC=C1
InchiInChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2-
FormulaC10H10O
PubChem ID6429333
Molweight146.19
LogP2.2
Atoms11
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds aromatic aldehydes aldehydes benzenoids
CHEBI-ID89904
Supernatural-IDSN0078543-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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 BorchiinanaSplivallo and Ebeler 2015
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
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
EukaryotaTuber AestivumNoneAgricultural Centre of Castilla and León CommunityDiaz et al. 2003
EukaryotaTuber MelanosporumNoneAgricultural Centre of Castilla and León CommunityDiaz et al. 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaTuber BorchiinaSPME-GC/MS/O); GC-Ryes
EukaryotaTuber Aestivumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber MelanosporumNoneNoneyes
EukaryotaTuber IndicumNoneNoneyes
EukaryotaTuber AestivumNoneNoneno
EukaryotaTuber MelanosporumNoneNoneno


2-phenylethanol

Mass-Spectra

Compound Details

Synonymous names
2-PHENYLETHANOL
Phenethyl alcohol
Phenylethyl alcohol
60-12-8
Benzeneethanol
Phenylethanol
Benzyl carbinol
Phenethanol
2-Phenylethyl alcohol
2-PHENYL-ETHANOL
beta-Phenylethanol
2-Phenethyl alcohol
Benzylmethanol
2-Phenylethan-1-Ol
Benzylcarbinol
Methanol, benzyl-
2-Hydroxyethylbenzene
1-Phenyl-2-ethanol
Ethanol, 2-phenyl-
FEMA No. 2858
2-PEA
Benzenethanol
Phenethylalcohol
Phenyl ethyl alcohol
beta-PEA
beta-Phenylethyl alcohol
beta-Hydroxyethylbenzene
Caswell No. 655C
beta-Fenylethanol
FEMA Number 2858
1321-27-3
beta-Fenethylalkohol
Phenethyl alcohol (natural)
beta-Phenethyl alcohol
HSDB 5002
2-Phenethanol
.beta.-Hydroxyethylbenzene
.beta.-Phenylethyl alcohol
Hydroxyethylbenzene
EINECS 200-456-2
UNII-ML9LGA7468
MFCD00002886
PhenethylAlcohol-d5
EPA Pesticide Chemical Code 001503
NSC 406252
NSC-406252
BRN 1905732
.beta.-Phenylethanol
ML9LGA7468
.beta.-PEA
DTXSID9026342
CHEBI:49000
AI3-00744
(2-Hydroxyethyl)benzene
.beta.-Phenethyl alcohol
Phenylethyl alcohol [USP]
.beta.-(hydroxyethyl)benzene
DTXCID206342
EC 200-456-2
4-06-00-03067 (Beilstein Handbook Reference)
NSC406252
NCGC00166215-02
Phenylethyl alcohol (USP)
Ethanol, phenyl-
PHENYLETHYL ALCOHOL (II)
PHENYLETHYL ALCOHOL [II]
PHENETHYL ALCOHOL (MART.)
PHENETHYL ALCOHOL [MART.]
Phenyl Ethanol(Natural)
2 Phenylethanol
PHENYLETHYL ALCOHOL (USP-RS)
PHENYLETHYL ALCOHOL [USP-RS]
beta-Fenylethanol [Czech]
2-phenyl ethanol
Carbinol, Benzyl
beta Phenylethanol
CAS-60-12-8
Alcohol, Phenethyl
beta-Fenethylalkohol [Czech]
PEL
SMR000059156
PHENYLETHYL ALCOHOL (USP MONOGRAPH)
PHENYLETHYL ALCOHOL [USP MONOGRAPH]
Alcohol, Phenylethyl
benzene-ethanol
Mellol
phenyl-ethanol
Benzyl-Methanol
2-PhenyIethanol
phenylethyl-alcohol
.beta.-Phenethanol
HY1
.beta.-Fenylethanol
b-Hydroxyethylbenzene
Benzyl ethyl alcohol
2-phenyl-1-ethanol
Benzeneethanol, 9CI
2-phenylethane-1-ol
betaphenylethyl alcohol
.beta.-Fenethylalkohol
2-Phenylethanol, USP
METHANOL, BENZYL
A-PEA
beta -hydroxyethylbenzene
2-Phenylethanol, 99%
.beta.-P.E.A.
(BETA-PEA)
Phenylethyl alcohol, USAN
bmse000659
Phenylethyl, beta- alcohol
2-(2-Hydroxyethyl)benzene
SCHEMBL1838
WLN: Q2R
MLS001066349
MLS001336026
FEMA NUMBER 2858.
PHENETHYL ALCOHOL [MI]
Phenethyl alcohol, 8CI, BAN
CHEMBL448500
beta-(HYDROXYETHYL)BENZENE
PHENETHYL ALCOHOL [FCC]
PHENYLETHYL, B- ALCOHOL
PHENETHYL ALCOHOL [INCI]
BDBM85807
FEMA 2858
HMS2093H05
HMS2233H06
HMS3374P04
Pharmakon1600-01505398
PHENYLETHYL ALCOHOL [FHFI]
PHENYLETHYL ALCOHOL [HSDB]
PHENETHYL ALCOHOL [WHO-DD]
BCP32115
CS-B1821
HY-B1290
NSC_6054
Tox21_113544
Tox21_201322
Tox21_303383
BBL036905
NSC759116
s3703
STL281950
2-Phenylethanol, >=99.0% (GC)
AKOS000249688
Tox21_113544_1
CCG-213419
DB02192
MCULE-8439044075
NSC-759116
CAS_60-12-8
Phenethyl alcohol, >=99%, FCC, FG
NCGC00166215-01
NCGC00166215-03
NCGC00166215-05
NCGC00257347-01
NCGC00258874-01
AC-18484
SBI-0206858.P001
NS00004212
P0084
EN300-19347
C05853
D00192
D70868
Phenethyl alcohol, natural, >=99%, FCC, FG
AB00698274_05
A832606
Q209463
SR-01000763553
Phenylethyl alcohol;Phenethyl alcohol;Benzeneethanol
Q-200318
SR-01000763553-2
0DE4CADC-AB8A-4038-BD6F-EBD009885652
F0001-1575
Z104473586
2-phenylethanol;2-Phenylethyl alcohol;Benzeneethanol;Phenylethanol
InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H
Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard
Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material
19601-20-8
Microorganism:

Yes

IUPAC name2-phenylethanol
SMILESC1=CC=C(C=C1)CCO
InchiInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
FormulaC8H10O
PubChem ID6054
Molweight122.16
LogP1.4
Atoms9
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic alcohols alcohols aromatic compounds benzenoids
CHEBI-ID49000
Supernatural-IDSN0418058

mVOC Specific Details

Boiling Point
DegreeReference
218.2 °C peer reviewed
Volatilization
The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 deg C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol's relatively low Henry's Law constant and vapor pressure suggest that volatilization from moist and dry soil surfaces will be minimal(SRC).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982)
Soil Adsorption
Using an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
8.68X10-2 mm Hg @ 25 deg C /from experimentally derived coefficients/Daubert, 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
ProkaryotaKlebsiella PneumoniaeNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
EukaryotaCandida DubliniensisNANAMartins et al. 2007
EukaryotaCandida AlbicansNANAMartins et al. 2007
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
ProkaryotaEscherichia ColiNANADixon et al. 2022
EukaryotaCandida AlbicansNANAPerl et al. 2011
ProkaryotaProteus MirabilisNANAJünger et al. 2012
ProkaryotaStreptococcus AgalactiaeNANAJünger et al. 2012
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
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
ProkaryotaCorynebacterium Accolensclinical isolateLemfack et al. 2016
ProkaryotaCorynebacterium Jeikeiumclinical isolateLemfack et al. 2016
ProkaryotaCorynebacterium Minutissimumclinical isolate,trunk of adult femaleLemfack et al. 2016
ProkaryotaCorynebacterium Striatumclinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus Schleifericlinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus SciuriSouthernflying squirrel skinLemfack et al. 2016
ProkaryotaStaphylococcus Sciuriclinical isolateLemfack et al. 2016
ProkaryotaErwinia AmylovoraNACellini et al. 2018
ProkaryotaBacillus AcidicelerNAMéndez-Bravo et al. 2018
EukaryotaFusarium CulmorumNASchmidt et al. 2018
EukaryotaHypoxylon InvadensNADickschat et al. 2018
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaAspergillus FischeriNADickschat et al. 2018
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaFusarium Oxysporum0NALi et al. 2018
EukaryotaTrichoderma Harzianum0NALi et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
EukaryotaAureobasidium PullulansNAContarino et al. 2019
EukaryotaMetschnikowia PulcherrimaNAContarino et al. 2019
EukaryotaSaccharomyces CerevisiaeNAContarino et al. 2019
EukaryotaWickerhamomyces AnomalusNAContarino et al. 2019
EukaryotaCandida SakeKing George Island, South Shetland Islands, AntarcticaArrarte et al. 2017
EukaryotaFusarium OxysporumNALi et al. 2018
EukaryotaTrichoderma HarzianumNALi et al. 2018
ProkaryotaProteus Vulgarisrhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)Yu et al. 2013
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 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
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaStenotrophomonas Maltophiliaantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)shoots of tomato plants (Elpida F1, Enza Zaden)López et al. 2021
ProkaryotaStaphylococcus Pasteuriantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)fruits of tomato plants (Elpida F1, Enza Zaden)López et al. 2021
ProkaryotaArthrobacter Ureafaciensantifungal 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
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
ProkaryotaArthrobacter Phenanthrenivoransantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)shoots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaRahnella Aquatilisantifungal activity on the mycelial growth of Colletotrichum gloeosporioidesisolate from the rhizosphere soil of a 28-year-old Pinus massoniana in Nanning, Guangxi; stored in the typical Culture Preservation Center of ChinaKong et al. 2020
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
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
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
EukaryotaMetschnikowia Reukaufiiinhibitory and promoting effects on the growth of different microorganismsisolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
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
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
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
EukaryotaRhodotorula Mucilaginosainhibitory and promoting effects on the growth of different microorganismsisolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaSporidiobolus Salmonicolorinhibitory 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
EukaryotaCystobasidium Laryngisinhibitory and promoting effects on the growth of different microorganismsisolate from Cerasticum arcticum, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaStaphylococcus Aureusn/aNAPreti et al. 2009
EukaryotaHypoxylon AnthochroumNAUlloa-Benítez et al. 2016
EukaryotaFusarium Sp.NATakeuchi et al. 2012
EukaryotaAspergillus Sp.NASeifert and King 1982
EukaryotaPenicillium Sp.NABrock and Dickschat 2013
EukaryotaTrichoderma Sp.NAStoppacher et al. 2010
EukaryotaChaetomium GlobosumNAKikuchi et al. 1983
EukaryotaLasiodiplodia TheobromaeNAMatsumoto and Nago 1994
EukaryotaTuber Sp.NASplivallo et al. 2007
ProkaryotaMyxobacterium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaRoseobacter Claden/aNASchulz and Dickschat 2007
ProkaryotaStaphylococcus Xylosusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCitrobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaEnterobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaEscherichia Sp.n/aNASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaArctic Bacteriumn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/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
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
ProkaryotaDinoroseobacter Shibaen/aNADickschat et al. 2005_4
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
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
ProkaryotaSerratia Plymuthican/aNAWeise et al. 2014
ProkaryotaSerratia Proteamaculansn/aNAWeise et al. 2014
ProkaryotaSerratia Marcescensn/aNAWeise et al. 2014
ProkaryotaSerratia Odoriferan/aNAWeise et al. 2014
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaCellulomonas Udan/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/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
ProkaryotaBurkholderia Caledonican/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Cepacian/aNABlom et al. 2011
ProkaryotaBurkholderia Fungorumn/aNABlom et al. 2011
ProkaryotaBurkholderia Gladiolin/aNABlom et al. 2011
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Hospitan/aNABlom et al. 2011
ProkaryotaBurkholderia Kururiensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenaziniumn/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Phytofirmansn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Sordidicolan/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Xenovoransn/aNABlom et al. 2011
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
EukaryotaTuber MelanosporumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
EukaryotaTuber IndicumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
EukaryotaSaccharomyces Cerevisiaecontrol citrus black spot disease fermentation processesToffano 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
EukaryotaAureobasidium PullulansapplesDavis 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
EukaryotaPenicillium CorymbiferumNAPierce et al. 1991
EukaryotaScopulariopsis BrevicaulisNAPierce et al. 1991
EukaryotaFusarium Sp.NAPierce et al. 1991
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
EukaryotaAureobasidium Pullulansattracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al. 2012
EukaryotaPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al. 2012
ProkaryotaBurkholderia CepaciaRhizosphereBlom et al. 2011
ProkaryotaBurkholderia KururiensisRhizosphereBlom et al. 2011
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaBranhamella CatarrhalisclinicPreti et al. 2009
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
EukaryotaHansenula Holstiiwhole beetles, beetle guts, loblolly pineBrand et al. 1977
EukaryotaPhoma Sp.n/aNAStrobel et al. 2011
ProkaryotaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al. 2011
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
EukaryotaPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al. 2011
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
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
ProkaryotaSerratia Plymuthican/aNAKai et al. 2007
ProkaryotaStaphylococcus Epidermidisn/aNAKai et al. 2007
ProkaryotaStenotrophomonas Rhizophilan/aNAKai et al. 2007
ProkaryotaEnterobacter Cloacaen/aNAArnold and Senter 1998
ProkaryotaPseudomonas Aeruginosan/aNAArnold and Senter 1998
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
EukaryotaPhellinus Sp.n/aNAStotzky and Schenck 1976
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
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
EukaryotaTrichoderma Atroviriden/aNAStoppacher et al. 2010
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
EukaryotaTrichoderma VirensNACrutcher et al. 2013
EukaryotaTrichoderma AtrovirideNACrutcher et al. 2013
EukaryotaTrichoderma ReeseiNACrutcher et al. 2013
EukaryotaPhoma Sp.nanaNaznin et al. 2014
EukaryotaAmpelomyces Sp.nanaNaznin et al. 2014
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
EukaryotaVerticillium Longisporumcollection TU GrazRybakova et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia AndauensisNANALjunggren et al. 2019
EukaryotaMetschnikowia SaccharicolaNANALjunggren et al. 2019
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaEscherichia ColiNANAAlmeida et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones 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
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
EukaryotaSaccharomyces EubayanusNANAMardones 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
EukaryotaHanseniaspora ValbyensisNANATran et al. 2022
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaPhytophthora RamorumN/APhytophthora ramorumLoulier et al. 2020
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
EukaryotaCyberlindnera FabianiiMa et al. 2023
EukaryotaDebaryomyces HanseniiLi et al. 2023
ProkaryotaCitrobacter FreundiiTallon et al. 2023
ProkaryotaEnterobacter AgglomeransTallon et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
ProkaryotaPediococcus AcidilacticiMockus et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeNBTD/GC-MSno
ProkaryotaStaphylococcus AureusDMEMTD/GC-MSno
ProkaryotaStaphylococcus AureusNBTD/GC-MSno
EukaryotaCandida DubliniensisRPMISPME/GC-MSno
EukaryotaCandida AlbicansRPMISPME/GC-MSno
EukaryotaCandida ParapsilosisTSBSPME/GC-MSno
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
EukaryotaCandida AlbicansTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaEscherichia ColiTSATD/GC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
EukaryotaCandida AlbicansColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStreptococcus AgalactiaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSyes
ProkaryotaCorynebacterium Accolensbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Jeikeiumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Minutissimumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Striatumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Schleiferibrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Sciuribrain heart infusion mediumPorapak / GC/MSno
ProkaryotaErwinia AmylovoraLuria-Bertani (LB)PTR-MS / SPME / GC-MSno
ProkaryotaBacillus AcidicelerLB agarSPME / GS-MSno
EukaryotaFusarium CulmorumKing`s B agarUPLC-MSno
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSyes
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
EukaryotaAspergillus Fischerimedium 129CLSA-GCMSyes
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaFusarium OxysporumPDA plateSPME-GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
EukaryotaAureobasidium PullulansYPDA(HS)-SPME/GC-MSno
EukaryotaMetschnikowia PulcherrimaYPDA(HS)-SPME/GC-MSno
EukaryotaSaccharomyces CerevisiaeYPDA(HS)-SPME/GC-MSno
EukaryotaWickerhamomyces AnomalusYPDA(HS)-SPME/GC-MSno
EukaryotaCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno
EukaryotaFusarium Oxysporumpotato dextrose agarSPME, GC-MSno
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
ProkaryotaProteus VulgarisLB agarSPME, GC-MSno
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/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
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStenotrophomonas MaltophiliaTYB mediaGC-MSno
ProkaryotaStaphylococcus PasteuriTYB mediaGC-MSno
ProkaryotaArthrobacter UreafaciensTYB mediaGC-MSno
ProkaryotaPantoea VagansTYB mediaGC-MSno
ProkaryotaArthrobacter PhenanthrenivoransTYB mediaGC-MSno
ProkaryotaRahnella AquatilisLB mediaHS-SPME/GC-MSyes
EukaryotaGrosmannia ClavigeraPDA mediaGC-MSno
EukaryotaOphiostoma IpsPDA mediaGC-MSno
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
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-MSyes
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSno
EukaryotaMetschnikowia Reukaufiiartificial nectar mediaGC-MSno
EukaryotaDebaryomyces Hanseniiartificial nectar mediaGC-MSno
EukaryotaMrakia Blollopisartificial nectar mediaGC-MSno
EukaryotaTausonia Pullulansartificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Sp.artificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Capitatumartificial nectar mediaGC-MSno
EukaryotaGoffeauzyma Gilvescensartificial nectar mediaGC-MSno
EukaryotaRhodotorula Mucilaginosaartificial nectar mediaGC-MSno
EukaryotaSporidiobolus Salmonicolorartificial nectar mediaGC-MSno
EukaryotaCystobasidium Laryngisartificial nectar mediaGC-MSno
ProkaryotaStaphylococcus Aureusblood/choclate agarGC-Ms flame photometric detectorno
ProkaryotaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaHypoxylon Anthochroumno
EukaryotaFusarium Sp.no
EukaryotaAspergillus Sp.no
EukaryotaPenicillium Sp.no
EukaryotaTrichoderma Sp.no
EukaryotaChaetomium Globosumno
EukaryotaLasiodiplodia Theobromaeno
EukaryotaTuber Sp.no
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaRoseobacter Claden/an/ano
ProkaryotaStaphylococcus Xylosusn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaCitrobacter Sp.n/an/ano
ProkaryotaEnterobacter Sp.n/an/ano
ProkaryotaEscherichia Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaArctic Bacteriumn/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Diastatochromogenesn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaStreptomyces Hirsutusn/an/ano
ProkaryotaStreptomyces Hygroscopicusn/an/ano
ProkaryotaStreptomyces Murinusn/an/ano
ProkaryotaStreptomyces Olivaceusn/an/ano
ProkaryotaStreptomyces Thermoviolaceusn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaStigmatella Aurantiacan/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
ProkaryotaSerratia PlymuthicaNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia ProteamaculansNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia MarcescensNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia OdoriferaNBIIHeadspace trapping/ GC-MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/an/ano
ProkaryotaBacillus CereusLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AndropogonisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCellulomonas UdaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaEscherichia ColiLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaLB, MR-VP and AngleHeadspace 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 MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaMR-VP and MS Headspace 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 MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaledonicaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaribensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CepaciaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia FungorumMR-VPHeadspace 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 GlumaeLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia HospitaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia KururiensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenaziniumLB and MR-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 PhytofirmansLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SordidicolaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia XenovoransMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Indicumn/an/ano
EukaryotaSaccharomyces CerevisiaeYEPDAGC/MSno
ProkaryotaEscherichia ColiTS brothGC-MS Super Qno
EukaryotaAureobasidium PullulansSabouraud dextrose agarGC-MSyes
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
ProkaryotaEnterobacter Agglomeransno
EukaryotaPenicillium CorymbiferumGC-FIDyes
EukaryotaScopulariopsis BrevicaulisGC-FIDyes
EukaryotaFusarium Sp.GC-FIDyes
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
EukaryotaAureobasidium PullulansSabouraud Dextrose AgarGC/FIDyes
EukaryotaPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
ProkaryotaBurkholderia CepaciaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
ProkaryotaBurkholderia KururiensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaBranhamella CatarrhalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaHansenula HolstiiPYGGC-MSno
EukaryotaPhoma Sp.n/aSolid phase microextraction (SPME)no
ProkaryotaStaphylococcus Sciuri877 liquid mediumSPME-GC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
EukaryotaPhomopsis Sp.PDA mediumSPME-GC/MSyes
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaSerratia Plymuthican/an/ano
ProkaryotaStaphylococcus Epidermidisn/an/ano
ProkaryotaStenotrophomonas Rhizophilan/an/ano
ProkaryotaEnterobacter CloacaeHS-SPME/GC-MS no
ProkaryotaPseudomonas AeruginosaHS-SPME/GC-MS no
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
EukaryotaPhellinus Sp.n/an/ano
EukaryotaTuber Aestivumn/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaPhoma Sp.naSPME-GC/MSno
EukaryotaAmpelomyces Sp.naSPME-GC/MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSyes
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
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 Andauensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Saccharicolaliquid YPD mediumGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEnterobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEscherichia ColiLB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐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 EquorumSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-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
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
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
EukaryotaHanseniaspora Valbyensissugared green and black teaHS-SPME-GC/MSno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
EukaryotaPhytophthora RamorumPotato Dextrose AgarSPME/GC-MS/MSstandard
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
EukaryotaCyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
EukaryotaDebaryomyces Hanseniimeat with pork lardGC-MSno
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
ProkaryotaPediococcus Acidilacticilentils (Lens culinaris)SPME/ICP-MSno


Compound Details

Synonymous names
toluene
methylbenzene
108-88-3
toluol
Phenylmethane
methacide
methylbenzol
Benzene, methyl-
antisal 1a
Toluen
tolu-sol
Methane, phenyl-
Tolueen
Toluolo
phenyl methane
1-Methylbenzene
monomethyl benzene
RCRA waste number U220
Tolueno
methyl-Benzene
Caswell No. 859
p-toluene
NCI-C07272
CP 25
CCRIS 2366
HSDB 131
NSC 406333
UN 1294
4-methylbenzene
Benzene, methyl
EINECS 203-625-9
UNII-3FPU23BG52
EPA Pesticide Chemical Code 080601
NSC-406333
3FPU23BG52
DTXSID7021360
CHEBI:17578
AI3-02261
TOLUENE (RING-D5)
CHEMBL9113
DTXCID501360
EC 203-625-9
Toluene, anhydrous
MFCD00008512
NCGC00090939-02
TOLUENE (IARC)
TOLUENE [IARC]
TOLUENE (MART.)
TOLUENE [MART.]
TOLUENE (USP-RS)
TOLUENE [USP-RS]
Tolueen [Dutch]
Toluen [Czech]
Toluene, analytical standard
Tolueno [Spanish]
Toluolo [Italian]
methyl benzene
para-toluene
Methyl benzol
Toluene, ACS reagent, >=99.5%
Toluene 1000 microg/mL in Methanol
CAS-108-88-3
RAMIPRIL IMPURITY G (EP IMPURITY)
RAMIPRIL IMPURITY G [EP IMPURITY]
PHME
UN1294
RCRA waste no. U220
methylbenzenes
Dracyl
phenyl-methane
toluene solvent
2-methylbenzene
toluene-
Methylbenzene; Toluene; Ramipril Imp. G (EP); Ramipril Impurity G
MePh
2-methyl benzene
4-methyl-benzene
Toluene ACS Grade
Toluene HPLC grade
Methylbenzene, 9CI
Toluene (Technical)
Toluene, for HPLC
PhCH3
Toluene, ACS reagent
Toluene, HPLC Grade
4i7k
TOLUENE [HSDB]
TOLUENE [INCI]
Toluene, 99.5%
TOLUENE [MI]
CP 25 (SOLVENT)
Toluene, Environmental Grade
Toluene, Semiconductor Grade
Toluene, LR, >=99%
C6H5CH3
TOLUENE [GREEN BOOK]
WLN: 1R
BIDD:ER0288
Toluene, anhydrous, 99.8%
Toluene, ASTM, 99.5%
Toluene, p.a., 99.5%
GTPL5481
Toluene, AR, >=99.5%
Toluene, for HPLC, 99.9%
Toluene, LR, rectified, 99%
CHEBI:38975
DTXSID00184990
DTXSID50175878
Toluene, HPLC grade, 99.8%
Toluene, Spectrophotometric Grade
Toluene 10 microg/mL in Methanol
Toluene, LR, sulfur free, 99%
Toluene, AR, rectified, 99.5%
Toluene, technical grade, 95.0%
BCP16202
Toluene, for HPLC, >=99.8%
Toluene, for HPLC, >=99.9%
Toluene, histology grade, practical
Toluene, PRA grade, >=99.8%
Toluene 100 microg/mL in Methanol
Tox21_111042
Tox21_201224
BDBM50008558
NSC406333
Toluene, purification grade, 99.8%
AKOS015840411
DB11558
MCULE-4817136027
Toluene, anhydrous, (water < 50ppm)
Toluene, puriss., >=99.5% (GC)
Toluene, SAJ first grade, >=99.0%
NCGC00090939-01
NCGC00090939-03
NCGC00258776-01
Toluene [UN1294] [Flammable liquid]
Toluene, JIS special grade, >=99.5%
Toluene, Laboratory Reagent, >=99.3%
Toluene, for HPLC, >=99.7% (GC)
Toluene, UV HPLC spectroscopic, 99.5%
Toluene, anhydrous, ZerO2(TM), 99.8%
DB-309420
NS00008096
T0260
Toluene, suitable for determination of dioxins
C01455
Q15779
Toluene, suitable for scintillation, >=99.7%
Toluene liquid density, NIST(R) SRM(R) 211d
A801937
SR-01000944565
Toluene, ACS spectrophotometric grade, >=99.5%
SR-01000944565-1
Toluene, p.a., ACS reagent, reag. ISO, 99.5%
InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H
D5191 Vapor Pressure - 7.1kPa (1.03 psi), 10 x 10 mL
Toluene, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%
Toluene, absolute, over molecular sieve (H2O <=0.005%), >=99.7% (GC)
Toluene, Pharmaceutical Secondary Standard; Certified Reference Material
Residual Solvent - Toluene, Pharmaceutical Secondary Standard; Certified Reference Material
Toluene, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.7% (GC)
25013-04-1
Microorganism:

Yes

IUPAC nametoluene
SMILESCC1=CC=CC=C1
InchiInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
FormulaC7H8
PubChem ID1140
Molweight92.14
LogP2.7
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkylbenzenes aromatic compounds benzenoids
CHEBI-ID17578
Supernatural-IDSN0462728

mVOC Specific Details

Boiling Point
DegreeReference
110.6 °C peer reviewed
Volatilization
The Henry's Law constant for toluene is 6.64X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that toluene 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 2.9 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.8 days(SRC). Toluene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Toluene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.4 mm Hg(3). The air-water interface equilibrium partitioning coefficient for toluene, at a concentration of 0.47 mg/L, has been reported to be 0.223, 0.226, 0.273, and 0.336 at 26.9, 31.9, 36.9, and 41.9 deg C, respectively(4). A first-order volatilization rate calculated for toluene from water using an inverse reactive simulation was reported as 6.62X10-6/sec(5). The volatilization half-life of toluene from a water column of one meter depth was estimated to be 5.18 hours(6). Toluene was reported to have a disappearance half-life of <2 days due to volatilization in two different soil types, a Captina silt loam and a McLaurin sandy loam(7).
Literature: (1) Mackay D et al; Environ Sci Technol 13: 333-6 (1979) (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) (4) Cheng W-H et al; Atmos Environ 37: 4807-4815 (2003) (5) Keefe SH et al; Environ Sci Technol 38: 2209-2216 (2004) (6) Mackay D, Leinonen PJ; Environ Sci Technol 9: 1178-80 (1975) (7) Anderson TA et al; J Environ Qual 20:420-4 (1991)
Soil Adsorption
The Koc of toluene was reported as 178 in a sandy soil(1) and as 37 (Wendover silty loam), 160 (Grimsby silt loam), 160 (Vaudreil sandy loam) and 46 (sandy soil)(2). The Koc of toluene in lake sediment was measured as 166(3). According to a classification scheme(4), these measured Koc values suggest that toluene is expected to have high to moderate mobility in soil.
Literature: (1) Wilson JT et al; J Environ Qual 10: 501-6 (1981) (2) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (3) Kan AT et al; Environ Sci Technol 32: 892-902 (1998) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #In association with clay minerals, toluene's adsorption is inversely proportional to the pH of the soil. Approximately 40-70% of toluene applied to the surface of sandy soils is volatilized.
Literature: IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: http://monographs.iarc.fr/ENG/Classification/index.php, p. V47: 90 (1989)
Vapor Pressure
PressureReference
28.4 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAHewett et al. 2020
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaPseudomonas AeruginosaNANANA
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin 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
EukaryotaAntrodia CinnamomeananaLu et al. 2014
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
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
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
ProkaryotaAchromobacter Sp.NANAAlmeida 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
EukaryotaKluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
EukaryotaAspergillus FlavusSNA 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
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
ProkaryotaBurkholderia Sp.TSBAGC-Q-TOFno
ProkaryotaPaenibacillus Sp.TSBAGC-Q-TOFno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
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
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno