Results for:
Species: Providencia rettgeri

2,6-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names
2,6-DIMETHYLPYRAZINE
108-50-9
Pyrazine, 2,6-dimethyl-
3,5-Dimethylpyrazine
2,6-Dimethylpiazine
2,6-Dimethylparadiazine
2,6-Dimethyl-1,4-diazine
FEMA No. 3273
N77Q72C9I3
2,6DMP
CCRIS 2930
2,6-Dimethylpyrazine (natural)
2,6-dimethyl pyrazine
EINECS 203-589-4
UNII-N77Q72C9I3
2,6 dimethylpyrazine
2,6-dimethyl-pyrazine
2,6-Dimethylpyrazine, 98%
SCHEMBL110425
2,6-dioxaspiro[3,3]heptane
2,6-Dimethylpyrazine,typically
SCHEMBL7120213
DTXSID5047619
PYRAZINE, 2,6-DIMETHYL
CHEBI:89791
FEMA 3273
AMY23200
2,6-DIMETHYLPYRAZINE [FCC]
2,6-DIMETHYLPYRAZINE [FHFI]
MFCD00006148
2,6-Dimethylpyrazine, >=98%, FG
AKOS006220715
CS-W021530
HY-W040790
2,6-Dimethylpyrazine, analytical standard
AC-23626
AS-14441
PD158374
ALPHAPRODINEHYDROCHLORIDECII(250MG)
DB-003244
D1527
NS00012336
2,6-Dimethylpyrazine, natural (US), >=90%
EN300-105139
O10631
Q-100050
Q27161978
F0001-0172
InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H
Microorganism:

Yes

IUPAC name2,6-dimethylpyrazine
SMILESCC1=CN=CC(=N1)C
InchiInChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
FormulaC6H8N2
PubChem ID7938
Molweight108.14
LogP0.5
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds pyrazines heterocyclic compounds
CHEBI-ID89791
Supernatural-IDSN0127170

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaAlcaligenes FaecalisnanaSu et al. 2016
ProkaryotaBrevibacterium EpidermidisnanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
EukaryotaLentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaAlcaligenes FaecalisLB mediumSPME-GC/MSno
ProkaryotaBrevibacterium EpidermidisLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno


1-phenylethanone

Mass-Spectra

Compound Details

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

Yes

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

mVOC Specific Details

Boiling Point
DegreeReference
202.1 °C peer reviewed
Volatilization
The Henry's Law constant for acetophenone was measured as 1.04X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetophenone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 61 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 32 days(SRC). Acetophenone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetophenone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.397 mm Hg(3).
Literature: (1) Betterton EA et al; Atmos Environ 25A: 1473-77 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of acetophenone was measured as 10, using an agricultural soil obtained from Northeastern China(1). According to a classification scheme(2), this Koc value suggests that acetophenone is expected to have very high mobility in soil(SRC).
Literature: (1) Ding Y, Wang L; Toxicol Environ Chem 78: 1-9 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #The experimental and estimated log Koc for acetophenone in several soils and sediments ranged from 1.34-2.43(1-6,8). These values are indicative of medium to high mobility in soil and low adsorption to sediments(7).
Literature: (1) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988) (2) Sabljic A; Enviorn Sci Technol 21: 358-66 (1987) (3) Banwart WL et al; J Environ Sci Health B15: 165-79 (1980) (4) Hodson J, Williams NA; Chemosphere 17: 67-77 (1988) (5) Gerstl Z, Mingelgrin U; J Environ Sci Health B19: 297-312 (1984) (6) Khan A et al; Soil Sci 128: 297-302 (1979) (7) Swann RL et al; Res Rev 85: 17-28 (1983) (8) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986)
Vapor Pressure
PressureReference
0.397 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaAcinetobacter RadioresistensNATimm et al. 2018
ProkaryotaBrevibacterium EpidermidisNATimm et al. 2018
ProkaryotaCorynebacterium XerosisNATimm et al. 2018
ProkaryotaPseudomonas AeruginosaNATimm et al. 2018
ProkaryotaRhodococcus ErythropolisNATimm et al. 2018
ProkaryotaStaphylococcus EpidermidisNATimm et al. 2018
EukaryotaHypoxylon InvadensNADickschat et al. 2018
ProkaryotaBacillus SubtilisZhang et al. 2021
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaPseudomonas Protegensinhibite the growth of Heterobasidion abietinum 10 and several fungi of different species (Basidiomycete, Ascomycete, Oomycota, Zygomycota)NAPrigigallo et al. 2021
EukaryotaMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al. 1991
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al. 2013
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
EukaryotaBjerkandera Adustan/aNALapadatescu et al. 2000
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
EukaryotaAspergillus ClavatusNASeifert and King 1982
EukaryotaMortierella IsabellinaNABengtsson et al. 1991
EukaryotaVerticillium BulbillosumNABengtsson et al. 1991
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Chlororaphisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Jesseniinaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
EukaryotaTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al. 2000
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
EukaryotaCladosporium CladosporioidesNAHedlund et al. 1995
EukaryotaCladosporium HerbarumNAHedlund et al. 1995
EukaryotaPenicillium SpinulosumNAHedlund et al. 1995
EukaryotaTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaAcinetobacter RadioresistensMOPS glucoseSPME, GC-MSno
ProkaryotaAcinetobacter RadioresistensTSASPME, GC-MSno
ProkaryotaBrevibacterium EpidermidisTSASPME, GC-MSno
ProkaryotaCorynebacterium XerosisTSASPME, GC-MSno
ProkaryotaPseudomonas AeruginosaTSASPME, GC-MSno
ProkaryotaRhodococcus ErythropolisTSASPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisMOPS glucose+EZSPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisTSASPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisMOPS glucoseSPME, GC-MSno
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSyes
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas ProtegensLB agar/PD agarGC-MSyes
EukaryotaMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
EukaryotaBjerkandera AdustaMinimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.no
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaAspergillus Clavatusno
EukaryotaMortierella Isabellinano
EukaryotaVerticillium Bulbillosumno
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
EukaryotaTrametes SuaveolensnaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
EukaryotaCladosporium CladosporioidesGC-MSno
EukaryotaCladosporium HerbarumGC-MSno
EukaryotaPenicillium SpinulosumGC-MSno
EukaryotaTuber BorchiiNoneNoneyes
EukaryotaTuber MelanosporumNoneNoneyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaStaphylococcus EquorumMOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


S-methyl Butanethioate

Mass-Spectra

Compound Details

Synonymous names
Methyl thiobutyrate
2432-51-1
S-Methyl butanethioate
S-Methyl thiobutyrate
BUTANETHIOIC ACID, S-METHYL ESTER
s-Methyl thiobutanoate
Methanethiol butyrate
Methyl thiolbutyrate
Butyric acid, thio-, S-methyl ester
Methanethiol n-butyrate
FEMA No. 3310
Methyl thiobutanoate
Methane n-thiolbutyrate
2P1E432MYZ
Thiobutyric Acid S-Methyl Ester
Methyl thiobutyrate (natural)
EINECS 219-407-1
UNII-2P1E432MYZ
1-(methylsulfanyl)butan-1-one
S-Methyl butanethioate #
S-Methyl thiobutanoate, 98%
SCHEMBL722981
DTXSID5047669
CHEBI:89255
FEMA 3310
METHYL THIOBUTYRATE [FCC]
METHYL THIOBUTYRATE [FHFI]
Methyl thiobutyrate, >=97%, FG
MFCD00009872
AKOS015950859
Methyl thiobutyrate, natural, 98%, FG
LS-13066
DB-046399
CS-0323899
M1818
NS00021916
D91533
J-800454
Q-100312
Q27161441
Microorganism:

Yes

IUPAC nameS-methyl butanethioate
SMILESCCCC(=O)SC
InchiInChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
FormulaC5H10OS
PubChem ID62444
Molweight118.2
LogP1.5
Atoms7
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters
CHEBI-ID89255
Supernatural-IDSN0113415

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces GriseusNARiu et al. 2022
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaAlcaligenes FaecalisnanaSu et al. 2016
ProkaryotaBacillus CereusnanaSu et al. 2016
ProkaryotaBrevibacterium EpidermidisnanaSu et al. 2016
ProkaryotaProteus PennerinanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
ProkaryotaThermomonospora FuscanasoilWilkins 1996
ProkaryotaStreptomyces GriseusnasoilWilkins 1996
ProkaryotaStreptomyces Sp.nabreathing zone of a waste collection workerWilkins 1996
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Griseusn/aNASchulz and Dickschat 2007
ProkaryotaThermomonospora Fuscan/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchulz and Dickschat 2007
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaMicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces GriseusTSA mediaSPME/GC-MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaAlcaligenes FaecalisLB mediumSPME-GC/MSno
ProkaryotaBacillus CereusLB mediumSPME-GC/MSno
ProkaryotaBrevibacterium EpidermidisLB mediumSPME-GC/MSno
ProkaryotaProteus PenneriLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
ProkaryotaThermomonospora FuscaNutrient agar CM3GC/MSno
ProkaryotaStreptomyces GriseusNutrient agar CM3GC/MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaThermomonospora Fuscan/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


(methyldisulfanyl)methane

Mass-Spectra

Compound Details

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

Yes

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

mVOC Specific Details

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

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAChippendale et al. 2014
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaNeisseria MeningitidisNANAAllardyce et al. 2006
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANACarroll et al. 2005
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANAShestivska et al. 2015
ProkaryotaStenotrophomonas RhizophilaNANAShestivska et al. 2015
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAScotter et al. 2006
ProkaryotaEscherichia ColiNANAAhmed et al. 2023
ProkaryotaKlebsiella PneumoniaeNANAAhmed et al. 2023
ProkaryotaPseudomonas AeruginosaNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaBurkholderia CepaciaNANANA
EukaryotaCandida KruseiNANAHertel et al. 2016a
EukaryotaCandida AlbicansNANAHertel et al. 2016a
EukaryotaCandida GlabrataNANAHertel et al. 2016a
EukaryotaCandida TropicalisNANAHertel et al. 2016a
ProkaryotaEscherichia ColiNANALawal et al. 2018a
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaKlebsiella PneumoniaeNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANANeerincx et al. 2016
ProkaryotaPseudomonas AeruginosaNANALawal et al. 2018a
ProkaryotaPseudomonas AeruginosaNANANA
ProkaryotaPseudomonas PutidaNANANA
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaShewanella PutrefaciensNANANA
ProkaryotaStaphylococcus AureusNANAZechman et al. 1986
ProkaryotaStaphylococcus AureusNANABoots et al. 2014
ProkaryotaStaphylococcus AureusNANALawal et al. 2018a
ProkaryotaStenotrophomonas MaltophiliaNANANA
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaEnterobacter CloacaeNANAJünger et al. 2012
ProkaryotaEscherichia ColiNANAJünger et al. 2012
ProkaryotaProteus MirabilisNANAJünger et al. 2012
ProkaryotaPseudomonas AeruginosaNANAJünger et al. 2012
ProkaryotaSerratia MarcescensNANAJünger et al. 2012
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
ProkaryotaPseudomonas AeruginosaNALawal et al. 2018
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
ProkaryotaBacillus AcidicelerNAMéndez-Bravo et al. 2018
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaIgnatzschineria Indicapig (Sus scrofa domesticus) carcassCernosek et al. 2020
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaHyphomonas Sp.swine wastewaterCho et al. 2019
ProkaryotaRhizobium Sp.swine wastewaterCho et al. 2019
ProkaryotaPseudomonas ProtegensNAMannaa et al. 2018
ProkaryotaSerratia Marcescensantifungal activity against Aspergillus flavustea rhizosphere in Xinyang, Henan province, ChinaGong et al. 2022
ProkaryotaBacillus Muralisantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Pumilusantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaNovosphingobium Lindaniclasticumantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Subtilisantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Amyloliquefaciensantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Megateriumantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Subtilisantibacterial activity against growth of Ralstonia solanacearumPlant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New DelhiKashyap et al. 2022
ProkaryotaPseudomonas Fluorescensantibacterial activity against growth of Ralstonia solanacearumPlant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New DelhiKashyap et al. 2022
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaBacillus Mycoidesisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaPseudomonas Pseudoalcaligenespromotes the growth of Zea mays L. and confer the resistance to drought stress in this maizeApplied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University IslamabadYasmin et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaPseudomonas AeruginosaLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaStaphylococcus Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
ProkaryotaBacillus Subtilisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus SubtilisNAMülner et al. 2020
ProkaryotaBacillus Atrophaeusgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus AmyloliquefaciensLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus VelezensisNAMülner et al. 2020
ProkaryotaBacillus LicheniformisLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus LicheniformisNAMülner et al. 2020
ProkaryotaPseudomonas AeruginosaNational Collections of Industrial Food and Marine Bacteria, American Type Culture CollectionSlade et al. 2022
ProkaryotaChromobacterium Vacciniiantifungal activity against Trichoderma sp. MWU14-9201, Phoma sp. MWU-UMCS9302, Colletotrichum sp. MWU-UMCS9301, Coleophoma sp. MWU-UMCS9305 and Phytophthora cinnamomi R001isolate from cultivated cranberry bog soils in Massachusetts (USA)Ebadzadsahrai et al. 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStreptomyces GriseusNARiu et al. 2022
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
ProkaryotaBacillus Cereuspromote fungal hypocrellin A production in Shiraia sp. S9isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
ProkaryotaBurkholderia Pyrrociniapromote aerial and root growth in Arabidopsis thaliana seedlingsRhizosphere soil samples from roots of maize (Zea mays L.) grown in Gongju, South KoreaLuo et al. 2022
ProkaryotaStreptomyces Alboflavusn/aNAWang et al. 2013
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Rishiriensisn/aNASchöller et al. 2002
ProkaryotaStreptomyces Albusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Aureofaciensn/aNASchöller et al. 2002
ProkaryotaStreptomyces Coelicolorn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Olivaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
ProkaryotaSerratia Proteamaculansn/aNAWeise et al. 2014
ProkaryotaSerratia Plymuthican/aNAWeise et al. 2014
ProkaryotaLactococcus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaLactobacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaOenococcus OeniThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaLactobacillus BrevisThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaLactobacillus HilgardiiThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaLactobacillus PlantarumThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaActinomycetes Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaAlcaligenes Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaBacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaCitrobacter Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaEnterobacter Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaKlebsiella OxytocaThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaSerratia Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaAeromonas VeroniiThis compound is assumed to have an antagonistic effect against sapstain fungi.NASchulz and Dickschat 2007
ProkaryotaStenotrophomonas Maltophilian/aNAZou et al. 2007
ProkaryotaAlcaligenes Faecalisn/aNAZou et al. 2007
ProkaryotaArthrobacter Nitroguajacolicusn/aNAZou et al. 2007
ProkaryotaLysobacter Gummosusn/aNAZou et al. 2007
ProkaryotaSporosarcina Ginsengisolin/aNAZou et al. 2007
ProkaryotaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
EukaryotaTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al. 2008
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al. 2013
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenaziniumn/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Xenovoransn/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaCupriavidus Necatorn/aNABlom et al. 2011
ProkaryotaLimnobacter Thiooxidansn/aNABlom et al. 2011
ProkaryotaPandoraea Norimbergensisn/aNABlom et al. 2011
ProkaryotaPseudomonas Aeruginosan/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
ProkaryotaSerratia Entomophilan/aNABlom et al. 2011
ProkaryotaSerratia Marcescensn/aNABlom et al. 2011
ProkaryotaSerratia Plymuthican/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaStaphylococcus Aureusn/aNAElgaali et al. 2002
ProkaryotaEscherichia Colin/aNASiripatrawan et al. 2008
ProkaryotaBurkholderia Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaPaenibacillus Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaEscherichia ColiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaBacillus CereusAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaBacillus PolymyxaAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaEnterococcus DuransAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaEnterococcus FaeciumAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaLactobacillus LactisAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaLeuconostoc MesenteroidesAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaStreptococcus AgalactiaeAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaStreptococcus ThermophilusAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
EukaryotaFusarium Sp.NABrock et al. 2011
EukaryotaPenicillium Sp.NALarsen 1998
ProkaryotaPseudomonas Perolensnasterile fish muscle (Sebastes melanops)Miller et al. 1973
ProkaryotaPseudomonas TolaasiinanaLo Cantore et al. 2015
ProkaryotaPseudonocardia ThermophilanasoilWilkins 1996
ProkaryotaSaccharomonospora RectivirgulanasoilWilkins 1996
ProkaryotaSaccharomonospora ViridisnasoilWilkins 1996
ProkaryotaThermoactinomyces VulgarisnasoilWilkins 1996
ProkaryotaThermomonospora FuscanasoilWilkins 1996
ProkaryotaStreptomyces GriseusnasoilWilkins 1996
ProkaryotaStreptomyces Sp.nabreathing zone of a waste collection workerWilkins 1996
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaPseudomonas Putidareduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Chlororaphisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fluorescensnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Jesseniinaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas AeruginosananaBriard et al. 2016
ProkaryotaPseudomonas Chlororaphisbacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansRhizosphere of maize, Kiev region, UkrainePopova et al. 2014
ProkaryotaSerratia Proteamaculansbacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansspoiled meatPopova et al. 2014
ProkaryotaSerratia Plymuthicastimulates growth of Pseudomonas fluorescens Pf0-1maize rhizosphere, NetherlandsGarbeva et al. 2014
ProkaryotaChryseobacterium Sp.nanaTyc et al. 2015
ProkaryotaTsukamurella Sp.nanaTyc et al. 2015
ProkaryotaDyella Sp.nanaTyc et al. 2015
ProkaryotaJanthinobacterium Sp.nanaTyc et al. 2015
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaPhialophora FastigiatananaSunesson et al. 1995
ProkaryotaLeuconostoc Mesenteroidescan be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsNAPogačić et al. 2016
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaPseudomonas PutidananaSchöller et al. 1997
ProkaryotaPseudomonas Fluorescensnasoil, water, plantsSchöller et al. 1997
ProkaryotaPseudomonas Aeruginosanasoil, water, skin floraSchöller et al. 1997
ProkaryotaSerratia Liquefaciensnasoil, water, plants; digestive tracts of rodents, insects, fish, humansSchöller et al. 1997
ProkaryotaEnterobacter Cloacaenaubiquitary,intestinalSchöller et al. 1997
ProkaryotaLeuconostoc MesenteroidesnaCantal cheesePogačić et al. 2016
ProkaryotaAlcaligenes FaecalisnanaSu et al. 2016
ProkaryotaBacillus CereusnanaSu et al. 2016
ProkaryotaBrevibacterium EpidermidisnanaSu et al. 2016
ProkaryotaProteus PennerinanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
EukaryotaTuber Magnatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaPenicillium Clavigerumcompost Fischer et al. 1999
ProkaryotaPseudomonas AeruginosaclinicPreti et al. 2009
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaStreptomyces Sp.NAJones et al. 2017
ProkaryotaPseudomonas Putidapositive influence of the plant root growth and protection against soil-borne pathogensNASheoran et al. 2015
ProkaryotaPseudomonas Putidanablack pepper rootSheoran et al. 2015
EukaryotaTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPseudomonas SegetisNANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaPhytophthora CactorumN/APhytophthora cactorum Loulier et al. 2020
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaMicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBHIGC-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaPseudomonas selectiveSIFT-MSno
ProkaryotaPseudomonas AeruginosaBlood agarSIFT-MSno
ProkaryotaPseudomonas Aeruginosahuman bloodSIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas RhizophilaMHBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaEscherichia ColiNBTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeNBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaNBTD/GC-MSno
ProkaryotaStaphylococcus AureusNBTD/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaBurkholderia Cepaciatrypticase soy agarTD/GC-MSno
EukaryotaCandida KruseiSDATD/GC-MSno
EukaryotaCandida AlbicansSDATD/GC-MSno
EukaryotaCandida GlabrataSDATD/GC-MSno
EukaryotaCandida TropicalisSDATD/GC-MSno
ProkaryotaEscherichia ColiASMTD/GC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaBrain Heart InfusionTD/GC-MSno
ProkaryotaPseudomonas AeruginosaASMTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Putidatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaShewanella Putrefacienstrypticase soy agarTD/GC-MSno
ProkaryotaStaphylococcus AureusTSBTD/GC-MSno
ProkaryotaStaphylococcus AureusMueller–HintonTD/GC-MSno
ProkaryotaStaphylococcus AureusASMTD/GC-MSno
ProkaryotaStenotrophomonas Maltophiliatrypticase soy agarTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaEnterobacter CloacaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaEscherichia ColiColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaPseudomonas AeruginosaColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaSerratia MarcescensColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaPseudomonas AeruginosaLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
ProkaryotaBacillus AcidicelerLB agarSPME / GS-MSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaIgnatzschineria IndicaNutrient AgarSPME-GC-MSno
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaHyphomonas Sp.Luria-Bertani (LB)SPME, GC-MSno
ProkaryotaRhizobium Sp.Luria-Bertani (LB)SPME, GC-MSno
ProkaryotaPseudomonas Protegenstryptic soy broth (TSB)gastight syringe, GC-MSno
ProkaryotaSerratia MarcescensNA mediaGC-MS/MSno
ProkaryotaBacillus MuralisNA mediaSPME/GC-MSyes
ProkaryotaBacillus PumilusNA mediaSPME/GC-MSyes
ProkaryotaNovosphingobium LindaniclasticumNA mediaSPME/GC-MSyes
ProkaryotaBacillus SubtilisNA mediaSPME/GC-MSyes
ProkaryotaBacillus AmyloliquefaciensNA mediaSPME/GC-MSyes
ProkaryotaBacillus MegateriumNA mediaSPME/GC-MSyes
ProkaryotaBacillus SubtilisLB agarGC-MSno
ProkaryotaPseudomonas FluorescensLB agarGC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaBacillus MycoidesTSB mediaSPME/GC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaBacillus Subtilisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTS agar/blood agarHS-SPME/GC-MSno
ProkaryotaChromobacterium VacciniiKing media B (KMB)SBSE-TD-GC×GC-TOF-MSno
ProkaryotaStaphylococcus EpidermidisBHI media, LB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStreptomyces GriseusTSA mediaSPME/GC-MSno
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSyes
ProkaryotaBurkholderia PyrrociniaNA mediaSPME/GC-MSyes
ProkaryotaStreptomyces AlboflavusGause's synthetic mediumHeadspace, solid-phase microextractionno
ProkaryotaStreptomyces AlbidoflavusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces Sp.Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces RishiriensisEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AlbusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AntibioticusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AureofaciensEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces CoelicolorEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces DiastatochromogenesEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces GriseusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HirsutusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HygroscopicusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces MurinusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces OlivaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces ThermoviolaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaSerratia ProteamaculansNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia PlymuthicaNBIIHeadspace trapping/ GC-MSno
ProkaryotaLactococcus Sp.n/an/ano
ProkaryotaLactobacillus Sp.n/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaLactobacillus Brevisn/an/ano
ProkaryotaLactobacillus Hilgardiin/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaAlcaligenes Sp.n/an/ano
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaCitrobacter Sp.n/an/ano
ProkaryotaEnterobacter Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaKlebsiella Oxytocan/an/ano
ProkaryotaSerratia Sp.n/an/ano
ProkaryotaAeromonas Veroniin/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaArthrobacter Nitroguajacolicusn/an/ano
ProkaryotaLysobacter Gummosusn/an/ano
ProkaryotaSporosarcina Ginsengisolin/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
ProkaryotaBurkholderia GlumaeLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaribensisLB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenaziniumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenoliruptrixLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia XenovoransLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaChromobacterium ViolaceumLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCupriavidus NecatorMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaLimnobacter ThiooxidansAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPandoraea NorimbergensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas AeruginosaLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaLB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaStaphylococcus AureusTS brothHS-SPME/GC-MS no
ProkaryotaEscherichia ColiSuper broth made up of tryptone, yeast, NaClHS-SPME/GC-MS no
ProkaryotaBurkholderia Sp.TSBAGC-Q-TOFno
ProkaryotaPaenibacillus Sp.TSBAGC-Q-TOFno
ProkaryotaEscherichia ColiTS brothGC-MS Super Qno
ProkaryotaBacillus CereusTS brothGC-MS SPMEyes
ProkaryotaBacillus PolymyxaTS brothGC-MS SPMEyes
ProkaryotaEnterococcus DuransTS brothGC-MS SPMEyes
ProkaryotaEnterococcus FaeciumTS brothGC-MS SPMEyes
ProkaryotaLactobacillus LactisTS brothGC-MS SPMEyes
ProkaryotaLeuconostoc MesenteroidesTS brothGC-MS SPMEyes
ProkaryotaStreptococcus AgalactiaeTS brothGC-MS SPMEyes
ProkaryotaStreptococcus ThermophilusTS brothGC-MS SPMEyes
EukaryotaFusarium Sp.no
EukaryotaPenicillium Sp.no
ProkaryotaPseudomonas PerolensTrypticase soil agar (BBL)GC/MSno
ProkaryotaPseudomonas TolaasiiKBSPME-GCno
ProkaryotaPseudonocardia ThermophilaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora RectivirgulaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora ViridisNutrient agar CM3GC/MSno
ProkaryotaThermoactinomyces VulgarisNutrient agar CM3GC/MSno
ProkaryotaThermomonospora FuscaNutrient agar CM3GC/MSno
ProkaryotaStreptomyces GriseusNutrient agar CM3GC/MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
ProkaryotaPseudomonas Aeruginosaminimal medium/ Brian mediumSPME-GC/MSno
ProkaryotaPseudomonas ChlororaphisLB mediumSPME-GC/MSno
ProkaryotaSerratia ProteamaculansLB mediumSPME-GC/MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
ProkaryotaChryseobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaTsukamurella Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaDyella Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaJanthinobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
EukaryotaAspergillus VersicolorDG18GC/MSno
EukaryotaPenicillium CommuneMEAGC/MSno
EukaryotaPhialophora FastigiataDG18GC/MSno
ProkaryotaLeuconostoc MesenteroidesMan Rogosa Sharpe broth (MRS)Tenax-trap/GC-MSno
EukaryotaSaccharomyces Cerevisiaen/an/ano
ProkaryotaStaphylococcus AureusTS brothGC-FIDno
ProkaryotaEscherichia Colitryptone, yeast extractGC-MS (SPB-5)no
ProkaryotaPseudomonas PutidaAB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MSno
ProkaryotaPseudomonas FluorescensAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaPseudomonas AeruginosaAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaSerratia LiquefaciensAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaEnterobacter CloacaeAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaLeuconostoc Mesenteroidescurd-based broth mediumGC/MSyes
ProkaryotaAlcaligenes FaecalisLB mediumSPME-GC/MSno
ProkaryotaBacillus CereusLB mediumSPME-GC/MSno
ProkaryotaBrevibacterium EpidermidisLB mediumSPME-GC/MSno
ProkaryotaProteus PenneriLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
EukaryotaTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
ProkaryotaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno
ProkaryotaPseudomonas PutidaTSBPropak Q adsorbent trap/GC-MSno
ProkaryotaPseudomonas PutidaLuria Bertani AgarHeadspace GC/MSno
EukaryotaTuber BorchiiNoneNoneyes
EukaryotaTuber MelanosporumNoneNoneyes
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisMOLPHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
EukaryotaPhytophthora CactorumPotato Dextrose AgarSPME/GC-MS/MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


1-methoxy-4-methylbenzene

Mass-Spectra

Compound Details

Synonymous names
4-Methylanisole
1-METHOXY-4-METHYLBENZENE
104-93-8
p-Methylanisole
4-Methoxytoluene
p-Methoxytoluene
Benzene, 1-methoxy-4-methyl-
p-methyl anisole
p-Cresol methyl ether
p-Cresyl methyl ether
Anisole, p-methyl-
4-Methyl anisole
Methyl p-cresol
Methyl p-tolyl ether
p-Tolyl methyl ether
Methyl p-cresyl ether
para-Methylanisole
1-Methyl-4-methoxybenzene
4-Methyl-1-methoxybenzene
4-Methylphenol methyl ether
Methyl 4-methylphenyl ether
Methyl-para-cresol
para-Methoxytoluene
Methyl p-methylphenyl ether
p-methylanisol
para-Cresyl methyl ether
para-methyl anisole
1-Methoxy-4-methyl-benzene
FEMA No. 2681
4-Methylanizole
NSC 6254
para-Methyl anisol
4-methylmethoxybenzene
4-METHOXYTOLUENE-D7
10FAI0OR9W
CHEMBL154155
DTXSID9026710
CHEBI:89728
NSC-6254
4-methylanisol
Toluene, 4-methoxy-
FEMA Number 2681
PARA-CRESOL DEUTEROMETHYL ETHER
HSDB 5363
EINECS 203-253-7
UNII-10FAI0OR9W
AI3-07621
p- methylanisole
p-Methyl-Anisole
p-Methoxy toluene
4-methoxy-toluene
MFCD00008413
VANADIUMGALLIDE
4-Methylanisole (MSO)
P- METHOXYTOLUENE
4-Methylanisole, 99%
1-methyoxy-4-methylbenzene
EC 203-253-7
SCHEMBL12464
4-CRESOL METHYL ETHER
WLN: 1OR D1
P-METHYLANISOLE [FHFI]
DTXCID306710
SCHEMBL2489775
P-METHYL ANISOLE [FCC]
SCHEMBL12015216
FEMA 2681
AMY5180
NSC6254
4-Methylanisole, analytical standard
Tox21_201081
BDBM50008555
STL268886
AKOS000121016
4-Methylanisole, >=99%, FCC, FG
CS-W013551
HY-W012835
MCULE-8571139509
NCGC00248917-01
NCGC00258634-01
1-METHOXY-4-METHYLBENZENE [HSDB]
BS-23266
CAS-104-93-8
PD164982
M0149
NS00010202
EN300-16112
W-108799
Q15726084
Z53834227
F0001-0094
InChI=1/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H
Microorganism:

Yes

IUPAC name1-methoxy-4-methylbenzene
SMILESCC1=CC=C(C=C1)OC
InchiInChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
FormulaC8H10O
PubChem ID7731
Molweight122.16
LogP2.7
Atoms9
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ethers aromatic compounds
CHEBI-ID89728
Supernatural-IDSN0045861

mVOC Specific Details

Boiling Point
DegreeReference
175.5 DEG C AT 760 MM HGLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995., p. 3-54
Volatilization
The Henry's Law constant for 1-methoxy-4-methylbenzene is estimated as 4.7X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 1-methoxy-4-methylbenzene 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 3.4 hours(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 4.4 days(2,SRC). 1-Methoxy-4-methylbenzene's vapor pressure, 1.1 mm Hg(3,SRC) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil may occur(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)
Solubility
INSOL IN WATER; SOL IN ETHER, ETHANOL, AND CHLOROFORM.
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995., p. 3-54
Literature: #1:3 IN 80% ALCOHOL, 1:7 IN 70% ALCOHOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 346
Soil Adsorption
The Koc of 1-methoxy-4-methylbenzene is estimated as approximately 670(SRC), using an experimental log Kow of 2.66(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 1-methoxy-4-methylbenzene has low mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Professional Reference Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSerratia MarcescensNANAJünger et al. 2012
EukaryotaTuber BrumaleFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaBurkholderia Caledonican/aNABlom et al. 2011
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaCellulomonas Udan/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaPseudomonas Chlororaphisn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
ProkaryotaSerratia Entomophilan/aNABlom et al. 2011
ProkaryotaSerratia Marcescensn/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Fungorumn/aNABlom et al. 2011
ProkaryotaBurkholderia Gladiolin/aNABlom et al. 2011
ProkaryotaBurkholderia Glathein/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaProteus PennerinanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSerratia MarcescensColumbia sheep bloodTD/GC-MS and MCC-IMSno
EukaryotaTuber Brumalemicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaBurkholderia CaledonicaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBacillus CereusMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCellulomonas UdaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaChromobacterium ViolaceumMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaEscherichia ColiMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas ChlororaphisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaLB, MS and AngleHeadspace 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
ProkaryotaBurkholderia CaribensisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlumaeMS and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia FungorumMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GladioliMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlatheiMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenoliruptrixMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaProteus PenneriLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
EukaryotaGanoderma LucidumnaGC/MSno


Methyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
Methyl isovalerate
Methyl 3-methylbutanoate
556-24-1
Methyl isopentanoate
Methyl 3-methylbutyrate
Isovaleric acid, methyl ester
Methyl isovalerianate
Butanoic acid, 3-methyl-, methyl ester
FEMA No. 2753
3-Methylbutanoic acid methyl ester
Isovaleric Acid Methyl Ester
3-methyl-butanoic acid methyl ester
QPS4788198
Methyl isovalerate (natural)
EINECS 209-117-3
UN2400
BRN 1699922
isopentanoic acid methyl ester
UNII-QPS4788198
Methyl iso-valerate
Isovaleric acid-methyl ester
Methyl isovalerate [UN2400] [Flammable liquid]
4-02-00-00897 (Beilstein Handbook Reference)
SCHEMBL112862
METHYL ISOVALERATE [MI]
DTXSID5060300
METHYL ISOVALERATE [FCC]
CHEBI:89832
FEMA 2753
METHYL ISOVALERATE [FHFI]
Methyl isovalerate, >=99%, FG
3-methyl-butyric acid methyl ester
BBL011395
LMFA07010950
MFCD00042866
STL146498
AKOS005721109
MCULE-2808202854
Methyl isovalerate, >=98.0% (GC)
Methyl isovalerate, analytical standard
UN 2400
AS-40996
DB-003722
I0198
NS00012914
EN300-220515
Methyl isovalerate [UN2400] [Flammable liquid]
Q27162017
InChI=1/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H
Microorganism:

Yes

IUPAC namemethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OC
InchiInChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
FormulaC6H12O2
PubChem ID11160
Molweight116.16
LogP1.8
Atoms8
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID89832
Supernatural-IDSN0272199

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Aureofaciensn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
ProkaryotaActinomycetes Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
EukaryotaCeratocystis FagacearumNALin and Phelan 1992
ProkaryotaDyella Sp.nanaTyc et al. 2015
ProkaryotaAlcaligenes FaecalisnanaSu et al. 2016
ProkaryotaBacillus CereusnanaSu et al. 2016
ProkaryotaProteus PennerinanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
ProkaryotaPseudochrobactrum Saccharolyticuminhibition of nematicidal activityCow dungXU et al. 2015
ProkaryotaWautersiella Falseniiinhibition of nematicidal activityCow dungXU et al. 2015
ProkaryotaAchromobacter Xylosoxidansinhibition of nematicidal activityCow dungXU et al. 2015
ProkaryotaArthrobacter Nicotianaeinhibition of nematicidal activityCow dungXU et al. 2015
EukaryotaPhialophora FastigiatananaSunesson et al. 1995
ProkaryotaSaccharomonospora ViridisnasoilWilkins 1996
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaLactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Aureofaciensn/an/ano
ProkaryotaStreptomyces Hirsutusn/an/ano
ProkaryotaStreptomyces Hygroscopicusn/an/ano
ProkaryotaStreptomyces AntibioticusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AureofaciensEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HirsutusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HygroscopicusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaCollimonas PratensisHeadspace trapping/GC-MSno
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
EukaryotaCeratocystis Fagacearumno
ProkaryotaDyella Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaAlcaligenes FaecalisLB mediumSPME-GC/MSno
ProkaryotaBacillus CereusLB mediumSPME-GC/MSno
ProkaryotaProteus PenneriLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum Saccharolyticumliquid LBSPME/GC-MS yes
ProkaryotaWautersiella Falseniiliquid LBSPME/GC-MS yes
ProkaryotaAchromobacter Xylosoxidansliquid LBSPME/GC-MS yes
ProkaryotaArthrobacter Nicotianaeliquid LBSPME/GC-MS yes
EukaryotaPhialophora FastigiataDG18GC/MSno
ProkaryotaSaccharomonospora ViridisNutrient agar CM3GC/MSno
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno