Results for:
Species: Streptococcus uberis

Acetic Acid

Mass-Spectra

Compound Details

Synonymous names
acetic acid
ethanoic acid
64-19-7
Acetic acid glacial
Ethylic acid
Vinegar acid
Glacial acetic acid
Acetic acid, glacial
Methanecarboxylic acid
Acetasol
Essigsaeure
Acide acetique
Pyroligneous acid
Vinegar
Azijnzuur
Aceticum acidum
Acido acetico
Octowy kwas
Aci-jel
HOAc
ethoic acid
Kyselina octova
Orthoacetic acid
AcOH
Azijnzuur [Dutch]
Ethanoic acid monomer
Acetic
Essigsaeure [German]
Caswell No. 003
Otic Tridesilon
Octowy kwas [Polish]
Acetic acid (natural)
Acide acetique [French]
Acido acetico [Italian]
FEMA No. 2006
Kyselina octova [Czech]
MeCOOH
Acetic acid-17O2
Otic Domeboro
Acidum aceticum glaciale
Acidum aceticum
CH3-COOH
acetic acid-
CH3CO2H
UN2789
UN2790
EPA Pesticide Chemical Code 044001
NSC 132953
NSC-132953
NSC-406306
BRN 0506007
Acetic acid, diluted
INS NO.260
Acetic acid [JAN]
DTXSID5024394
MeCO2H
CHEBI:15366
AI3-02394
CH3COOH
INS-260
Q40Q9N063P
E-260
10.Methanecarboxylic acid
CHEMBL539
NSC-111201
NSC-112209
NSC-115870
NSC-127175
Acetic acid-2-13C,d4
INS No. 260
DTXCID304394
E 260
Acetic-13C2 acid (8CI,9CI)
Ethanoat
Shotgun
MFCD00036152
Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid
285977-76-6
68475-71-8
C2:0
acetyl alcohol
Orlex
Vosol
ACETIC-1-13C-2-D3 ACID-1 H (D)
WLN: QV1
ACETIC ACID (MART.)
ACETIC ACID [MART.]
Acetic acid, >=99.7%
57745-60-5
63459-47-2
FEMA Number 2006
ACETIC-13C2-2-D3 ACID, 97 ATOM % 13C, 97 ATOM % D
Acetic acid, ACS reagent, >=99.7%
ACY
HSDB 40
CCRIS 5952
79562-15-5
methane carboxylic acid
EINECS 200-580-7
Acetic acid 0.25% in plastic container
Essigsaure
Ethylate
acetic aicd
acetic-acid
Glacial acetate
acetic cid
actic acid
UNII-Q40Q9N063P
acetic -acid
Distilled vinegar
Methanecarboxylate
Acetic acid, glacial [USP:JAN]
Acetasol (TN)
Acetic acid,glacial
Carboxymethyl radical
for LC-MS
Vinegar (Salt/Mix)
HOOCCH3
546-67-8
Acetic acid LC/MS Grade
ACETIC ACID [II]
ACETIC ACID [MI]
Acetic acid, ACS reagent
bmse000191
bmse000817
bmse000857
Otic Domeboro (Salt/Mix)
EC 200-580-7
Acetic acid (JP17/NF)
ACETIC ACID [FHFI]
ACETIC ACID [INCI]
Acetic Acid [for LC-MS]
ACETIC ACID [VANDF]
NCIOpen2_000659
NCIOpen2_000682
Acetic acid, glacial (USP)
4-02-00-00094 (Beilstein Handbook Reference)
77671-22-8
Glacial acetic acid (JP17)
UN 2790 (Salt/Mix)
ACETIC ACID [WHO-DD]
ACETIC ACID [WHO-IP]
ACETICUM ACIDUM [HPUS]
GTPL1058
Acetic Acid Glacial HPLC Grade
Acetic acid, analytical standard
Acetic acid, Glacial USP grade
Acetic acid, puriss., >=80%
Acetic acid, 99.8%, anhydrous
Acetic acid, AR, >=99.8%
Acetic acid, LR, >=99.5%
DTXSID001043500
Acetic acid, extra pure, 99.8%
Acetic acid, 99.5-100.0%
Acetic acid, Glacial, ACS Reagent
STR00276
Acetic acid, puriss., 99-100%
Tox21_301453
Acetic acid, glacial, >=99.85%
BDBM50074329
FA 2:0
LMFA01010002
NSC132953
NSC406306
STL264240
Acetic acid, for HPLC, >=99.8%
AKOS000268789
ACIDUM ACETICUM [WHO-IP LATIN]
DB03166
MCULE-8295936189
UN 2789
Acetic acid, >=99.5%, FCC, FG
Acetic acid, natural, >=99.5%, FG
Acetic acid, ReagentPlus(R), >=99%
CAS-64-19-7
USEPA/OPP Pesticide Code: 044001
Acetic acid, USP, 99.5-100.5%
NCGC00255303-01
Acetic acid 1000 microg/mL in Methanol
Acetic acid, SAJ first grade, >=99.0%
DB-085748
Acetic acid 1000 microg/mL in Acetonitrile
Acetic acid, >=99.99% trace metals basis
Acetic acid, JIS special grade, >=99.7%
Acetic acid, purified by double-distillation
NS00002089
Acetic acid, UV HPLC spectroscopic, 99.9%
EN300-18074
Acetic acid, Vetec(TM) reagent grade, >=99%
Bifido Selective Supplement B, for microbiology
C00033
D00010
ORLEX HC COMPONENT ACETIC ACID, GLACIAL
Q47512
VOSOL HC COMPONENT ACETIC ACID, GLACIAL
Acetic acid, glacial, electronic grade, 99.7%
TRIDESILON COMPONENT ACETIC ACID, GLACIAL
A834671
ACETASOL HC COMPONENT ACETIC ACID, GLACIAL
Acetic acid, >=99.7%, SAJ super special grade
ACETIC ACID, GLACIAL COMPONENT OF BOROFAIR
ACETIC ACID, GLACIAL COMPONENT OF ORLEX HC
ACETIC ACID, GLACIAL COMPONENT OF VOSOL HC
SR-01000944354
ACETIC ACID, GLACIAL COMPONENT OF TRIDESILON
SR-01000944354-1
ACETIC ACID, GLACIAL COMPONENT OF ACETASOL HC
Glacial acetic acid, meets USP testing specifications
InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4
Acetic acid, >=99.7%, suitable for amino acid analysis
Acetic acid, >=99.7%, for titration in non-aqueous medium
Acetic acid, for luminescence, BioUltra, >=99.5% (GC)
Acetic acid, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%
Acetic acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17926)
Glacial acetic acid, United States Pharmacopeia (USP) Reference Standard
Acetic acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%
Glacial Acetic Acid, Pharmaceutical Secondary Standard; Certified Reference Material
158461-04-2
2887-46-9
Acetic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, 99.8-100.5%
Microorganism:

Yes

IUPAC nameacetic acid
SMILESCC(=O)O
InchiInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
FormulaC2H4O2
PubChem ID176
Molweight60.05
LogP-0.2
Atoms4
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids organic acids
CHEBI-ID15366
Supernatural-IDSN0314461

mVOC Specific Details

Boiling Point
DegreeReference
117.9 °C peer reviewed
Volatilization
The Henry's Law constant for acetic acid has been experimentally determined to be 1.43X10-7 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that acetic acid is expected to be essentially nonvolatile from water surfaces(2). Acetic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Acetic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 15.7 mm Hg at 25 deg C(3).
Literature: (1) Johnson BJ et al; J Atmos Chem 24: 113-119 (1996) (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 Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
A log Koc of 0.00 (Koc = 1), which was derived from experimental measurements, has been reported for acetic acid(1,2). According to a classification scheme(3), this Koc value suggests that acetic acid is expected to have very high mobility in soil. No detectable sorption was measured for acetic acid using the OECD Guideline 106 method employing an acidic forest soil, pH 2.8, an agricultural soil, pH 6.7, and a lake sediment, pH 7.1(4). Adsorption of acetic acid to 3 nearshore marine sediments collected from three different locations resulted in Kd values of 0.65 (Koc = 228), 0.085 (Koc = 6.5) and 0.046 (Koc = 27) using clastic mud (3.5% organic carbon, pH 7.0), muddy sand (1.3% organic carbon, pH 7.7), and carbonate sand (0.17% organic carbon, pH 8.1), respectively(5). The pKa of acetic acid is 4.76(6), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(7).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supplemental material) (2006) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (5) Sansone JF et al; Geochimica et Cosmochimica Acta 51: 1889-1896 (1987) (6) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. New York, NY: Pergamon Press, p. 989 (1979) (7) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Literature: #In 24 hr aqueous adsorption studies using montmorillonite and kaolinite clay adsorbents, 2.4-30.4% of added acetic acid was observed to be in the adsorbed phase(1). In adsorption studies using the adsorbent hydroxyapatite (a mineral which occurs in the environment as a result of the diagenesis of skeletal apatite), only 5% of added acetic acid (in aqueous solution, pH 8.0) became adsorbed to the hydroxyapatite(2). Acetic acid has been noted to leach from biological disposal areas(3).
Literature: (1) Hemphill L, Swanson WS; Proc of the 18th Industrial Waste Conf, Eng Bull Purdue Univ, Lafayette IN 18: 204-17 (1964) (2) Gordon AS, Millero FJ; Microb Ecol 11: 289-98 (1985) (3) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources. USEPA-560/3-75-002 p. 3 (1975)
Vapor Pressure
PressureReference
15.7 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-MS Spectrum 2640 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 2637 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 2638 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 179743
MS-MS Spectrum 182077
MS-MS Spectrum 182078
MS-MS Spectrum 71 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 179744
MS-MS Spectrum 70 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 2636 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 179742
MS-MS Spectrum 69 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 182076
MS-MS Spectrum 2635 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 2639 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAZhu et al. 2010
ProkaryotaStaphylococcus AureusNANAZhu et al. 2010
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaNeisseria MeningitidisNANAAllardyce et al. 2006
ProkaryotaNeisseria MeningitidisNANAScotter et al. 2006
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
EukaryotaAspergillus FumigatusNANABazemore et al. 2012
ProkaryotaEscherichia ColiNANABoots et al. 2014
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaStaphylococcus EpidermidisNATimm et al. 2018
EukaryotaTrichoderma Harzianum0NALi et al. 2018
EukaryotaTrichoderma Virens0NALi et al. 2018
EukaryotaTrichoderma HarzianumNALi et al. 2018
EukaryotaTrichoderma VirensNALi 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
ProkaryotaArthrobacter Nicotinovoransstimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaErwinia Persicinaavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaStaphylococcus Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
EukaryotaMortierella Alpina/globalpinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Angustaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Bainieriisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Exiguaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Gamsiiisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Gemmiferaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Horticolaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Humilis/verticilataisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Hyalinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaEntomortierella Parvisporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Pseudozygosporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Solitariaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Zonataisolate from different types of soil in AustriaTelagathoti et al. 2021
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaBacillus VelezensisNARiu et al. 2022
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
ProkaryotaBacillus Sp.Highly attractive to Mexican fruit flies.NASchulz and Dickschat 2007
ProkaryotaStaphylococcus Sp.Highly attractive to Mexican fruit flies.NASchulz and Dickschat 2007
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
ProkaryotaVeillonella Sp.Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.NAHinton and Hume 1995
ProkaryotaBacteroides FragilisReduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.NAHinton and Hume 1995
EukaryotaPenicillium Aurantiogriseumn/aNABörjesson et al. 1990
ProkaryotaBacteroides Biviusn/aNAWiggins et al. 1985
ProkaryotaBacteroides Distasonisn/aNAWiggins et al. 1985
ProkaryotaBacteroides Ovatusn/aNAWiggins et al. 1985
ProkaryotaBacteroides Thetaiotaomicronn/aNAWiggins et al. 1985
ProkaryotaBacteroides Vulgatusn/aNAWiggins et al. 1985
ProkaryotaClostridium Cadaverumn/aNAWiggins et al. 1985
ProkaryotaClostridium Histolyticumn/aNAWiggins et al. 1985
ProkaryotaClostridium Tertiumn/aNAWiggins et al. 1985
ProkaryotaClostridium Bifermentansn/aNAWiggins et al. 1985
ProkaryotaClostridium Fallaxn/aNAWiggins et al. 1985
ProkaryotaClostridium Butyricumn/aNAWiggins et al. 1985
ProkaryotaClostridium Sporogenesn/aNAWiggins et al. 1985
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
ProkaryotaOenococcus Oenin/aNATracey and Britz 1989
ProkaryotaPorphyromonas Gingivalisn/aNAKurita-Ochiai et al. 1995
ProkaryotaPrevotella Loescheiin/aNAKurita-Ochiai et al. 1995
ProkaryotaPrevotella Intermedian/aNAKurita-Ochiai et al. 1995
ProkaryotaFusobacterium Nucleatumn/aNAKurita-Ochiai et al. 1995
ProkaryotaActinobacillus Actinomycetemcomitansn/aNAKurita-Ochiai et al. 1995
ProkaryotaCapnocytophaga Ochracean/aNAKurita-Ochiai et al. 1995
ProkaryotaEscherichia Colin/aNABunge et al. 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
EukaryotaTuber Excavatumn/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
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
ProkaryotaKlebsiella Pneumoniaen/aNAJulak et al. 2003
ProkaryotaStaphylococcus Aureusn/aNAJulak 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
ProkaryotaAcinetobacter Baumanniiclinical exudatesJulak et al. 2003
ProkaryotaActinomyces Europaeusclinical exudatesJulak et al. 2003
ProkaryotaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Capillosusclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Pyogenesclinical exudatesJulak et al. 2003
ProkaryotaClostridium Difficileclinical exudatesJulak et al. 2003
ProkaryotaClostridium Perfringensclinical exudatesJulak et al. 2003
ProkaryotaClostridium Ramosumclinical exudatesJulak et al. 2003
ProkaryotaClostridium Septicumclinical exudatesJulak et al. 2003
ProkaryotaEnterococcus Faecalisclinical exudatesJulak et al. 2003
ProkaryotaEubacterium Lentumclinical exudatesJulak et al. 2003
ProkaryotaFusobacterium Simiaeclinical exudatesJulak et al. 2003
ProkaryotaFusobacterium Necrophorumclinical exudatesJulak et al. 2003
ProkaryotaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
ProkaryotaNocardia Sp.clinical exudatesJulak et al. 2003
ProkaryotaPeptostreptococcus Anaerobiusclinical exudatesJulak et al. 2003
ProkaryotaPeptostreptococcus Asaccharolyticusclinical exudatesJulak et al. 2003
ProkaryotaPeptostreptococcus Prevotiiclinical exudatesJulak et al. 2003
ProkaryotaPropionibacterium Acnesclinical exudatesJulak et al. 2003
ProkaryotaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
ProkaryotaProteus Mirabilisclinical exudatesJulak et al. 2003
ProkaryotaStaphylococcus Epidermidisclinical exudatesJulak et al. 2003
ProkaryotaStreptococcus Agalactiaeclinical exudatesJulak et al. 2003
ProkaryotaStreptococcus Pyogenesclinical exudatesJulak et al. 2003
ProkaryotaStreptococcus Viridansclinical exudatesJulak et al. 2003
EukaryotaCandida Albicansclinical exudatesJulak et al. 2003
ProkaryotaStreptococcus Uberismilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaemilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaHaemophilus InfluenzaeclinicPreti et al. 2009
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
EukaryotaPenicillium CamembertiNALarsen 1998
EukaryotaPenicillium CaseifulvumNALarsen 1998
ProkaryotaArthrobacter Agilisnarhizosphere of maize plantsVelázquez-Becerra et al. 2011
ProkaryotaPseudomonas Brassicacearumreduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaLactobacillus RhamnosusnaDomiati cheesePogačić et al. 2016
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 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
ProkaryotaBacillus VelezensisNANAToral et al. 2021
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
ProkaryotaAcetobacter IndonesiensisNANATran et al. 2022
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaLactiplantibacillus PlantarumChen et al. 2023
ProkaryotaLactobacillus PlantarumZhang et al. 2023
ProkaryotaBacillus ThuringiensisKoilybayeva et al. 2023
ProkaryotaBacillus ToyonensisKoilybayeva et al. 2023
ProkaryotaBacillus AcidiproducensKoilybayeva et al. 2023
ProkaryotaBacillus CereusKoilybayeva et al. 2023
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
ProkaryotaLactobacillus PlantarumMa et al. 2023
EukaryotaAspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTSBSESI-MSno
ProkaryotaStaphylococcus AureusTSBSESI-MSno
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas Aeruginosahuman bloodSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaStaphylococcus AureusBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
EukaryotaAspergillus FumigatusSDA + ElastinTD/GC-MSno
ProkaryotaEscherichia ColiMueller–HintonTD/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSASPME, GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
EukaryotaTrichoderma VirensPDA plateSPME-GC-MSno
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
EukaryotaTrichoderma Virenspotato dextrose agarSPME, GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaArthrobacter NicotinovoransLB mediaSPME/GC-MSno
ProkaryotaErwinia PersicinaLB mediaSPME/GC-MSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
EukaryotaMortierella Alpina/globalpinaPD agarPTR-ToF-MSno
EukaryotaMortierella AngustaPD agarPTR-ToF-MSno
EukaryotaMortierella BainieriPD agarPTR-ToF-MSno
EukaryotaLinnemannia ExiguaPD agarPTR-ToF-MSno
EukaryotaLinnemannia GamsiiPD agarPTR-ToF-MSno
EukaryotaMortierella GemmiferaPD agarPTR-ToF-MSno
EukaryotaPodila HorticolaPD agarPTR-ToF-MSno
EukaryotaPodila Humilis/verticilataPD agarPTR-ToF-MSno
EukaryotaLinnemannia HyalinaPD agarPTR-ToF-MSno
EukaryotaEntomortierella ParvisporaPD agarPTR-ToF-MSno
EukaryotaMortierella PseudozygosporaPD agarPTR-ToF-MSno
EukaryotaMortierella SolitariaPD agarPTR-ToF-MSno
EukaryotaMortierella ZonataPD agarPTR-ToF-MSno
ProkaryotaStaphylococcus AureusBHI media, TSB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaBacillus VelezensisTSA mediaSPME/GC-MSno
ProkaryotaEscherichia Colirocket lysateHS-SPME/GC-MSno
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaStaphylococcus Sp.n/an/ano
ProkaryotaClostridium Sp.n/an/ano
ProkaryotaVeillonella Sp.n/an/ano
ProkaryotaBacteroides Fragilisn/an/ano
EukaryotaPenicillium Aurantiogriseumn/an/ano
ProkaryotaBacteroides Biviusn/an/ano
ProkaryotaBacteroides Distasonisn/an/ano
ProkaryotaBacteroides Ovatusn/an/ano
ProkaryotaBacteroides Thetaiotaomicronn/an/ano
ProkaryotaBacteroides Vulgatusn/an/ano
ProkaryotaClostridium Cadaverumn/an/ano
ProkaryotaClostridium Histolyticumn/an/ano
ProkaryotaClostridium Tertiumn/an/ano
ProkaryotaClostridium Bifermentansn/an/ano
ProkaryotaClostridium Fallaxn/an/ano
ProkaryotaClostridium Butyricumn/an/ano
ProkaryotaClostridium Sporogenesn/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
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaPorphyromonas Gingivalisn/an/ano
ProkaryotaPrevotella Loescheiin/an/ano
ProkaryotaPrevotella Intermedian/an/ano
ProkaryotaFusobacterium Nucleatumn/an/ano
ProkaryotaActinobacillus Actinomycetemcomitansn/an/ano
ProkaryotaCapnocytophaga Ochracean/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
ProkaryotaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS no
ProkaryotaStaphylococcus AureusVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS no
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaAcinetobacter Baumanniipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaActinomyces Europaeuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaEnterococcus Faecalispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaFusobacterium Necrophorumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaNocardia Sp.peptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPeptostreptococcus Anaerobiuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPeptostreptococcus Asaccharolyticuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPeptostreptococcus Prevotiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaProteus Mirabilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStaphylococcus Epidermidispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStreptococcus Agalactiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStreptococcus Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStreptococcus Viridanspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
EukaryotaCandida Albicanspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaStreptococcus UberisGCMS DSQno
ProkaryotaStreptococcus DysgalactiaeGCMS DSQno
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
EukaryotaPenicillium Camembertino
EukaryotaPenicillium Caseifulvumno
ProkaryotaArthrobacter AgilisLB medium/NA mediumSPME-GC/MSno
ProkaryotaPseudomonas BrassicacearumKing's B AgarSPME-GC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
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 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
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) 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
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
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
ProkaryotaAcetobacter Indonesiensissugared green and black teaHS-SPME-GC/MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno
ProkaryotaBacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaLactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno
EukaryotaAspergillus Flavusinoculated potato samplesGC-MSno


Butane-2,3-dione

Mass-Spectra

Compound Details

Synonymous names
2,3-butanedione
diacetyl
biacetyl
Butane-2,3-dione
431-03-8
dimethylglyoxal
Butanedione
dimethyl diketone
2,3-diketobutane
Dimethyl glyoxal
2,3-Butadione
2,3-dioxobutane
butadione
Glyoxal, dimethyl-
2,3-butandione
Diacetyl (natural)
FEMA No. 2370
Butan-2,3-dione
CCRIS 827
HSDB 297
NSC 8750
MFCD00008756
UN2346
2,3-Butanedione-13C2
AI3-03313
K324J5K4HM
DTXSID6021583
CHEBI:16583
NSC-8750
2.3-butanedione
EINECS 207-069-8
BRN 0605398
UNII-K324J5K4HM
butane 2
butane-2
Biacetyl; BDM
2,3 butandione
Buta-2,3-dione
DIACETYL [FHFI]
DIACETYL [HSDB]
DIACETYL [FCC]
Butanedione [UN2346] [Flammable liquid]
DIACETYL [MI]
Lopac-D-3634
Butanedione [UN2346]
2,3-Butanedione, 97%
Lopac0_000387
4-01-00-03644 (Beilstein Handbook Reference)
Diacetyl, natural, >=95%
WLN: 1VV1
(CH3CO)2
CHEMBL365809
DTXCID701583
SGCUT00113
2,3-Butanedione (8CI,9CI)
BDBM22725
NSC8750
HMS3261M15
to_000005
Tox21_201218
Tox21_500387
LMFA12000012
2,3-Butanedione, analytical standard
AKOS000118816
Diacetyl 1000 microg/mL in Methanol
CCG-204481
LP00387
MCULE-5742661187
SDCCGSBI-0050374.P002
NCGC00015336-01
NCGC00015336-02
NCGC00015336-03
NCGC00015336-04
NCGC00015336-05
NCGC00015336-06
NCGC00015336-07
NCGC00090746-01
NCGC00090746-02
NCGC00090746-03
NCGC00258770-01
NCGC00261072-01
CAS-431-03-8
DB-003226
B0682
Butanedione [UN2346] [Flammable liquid]
EU-0100387
NS00003558
EN300-19494
C00741
D 3634
W18292
A826155
Q408916
SR-01000075811
InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H
SR-01000075811-1
DEE64962-0BD5-454C-8BDA-FDBD33C47181
F0001-1188
BUO
Microorganism:

Yes

IUPAC namebutane-2,3-dione
SMILESCC(=O)C(=O)C
InchiInChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
FormulaC4H6O2
PubChem ID650
Molweight86.09
LogP-1.3
Atoms6
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationalcohols ketones
CHEBI-ID16583
Supernatural-IDSN0313939

mVOC Specific Details

Boiling Point
DegreeReference
87.5 °C peer reviewed
Volatilization
The Henry's Law constant for diacetyl is 1.33X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that diacetyl 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 2.7 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 22 days(SRC). Diacetyl's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diacetyl is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 56.8 mm Hg(3).
Literature: (1) Betterton EA; Atmos Environ 25A:1473-7 (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) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci. Publ (1984)
Soil Adsorption
The Koc of diacetyl is estimated as 1(SRC), using a log Kow of -1.34(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diacetyl is expected to have very 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. 9 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 31, 2016: http://www2.epa.gov/tsca-screening-tools (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
56.8 mm Hg at 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAMellors et al. 2018
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaErwinia AmylovoraNACellini et al. 2018
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
ProkaryotaBacillus AmyloliquefaciensLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus VelezensisNAMülner et al. 2020
ProkaryotaBacillus LicheniformisLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
EukaryotaFusarium OxysporumNAMoisan et al. 2021
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 102NACalvo 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 111NACalvo et al. 2020
ProkaryotaStreptococcus PyogenesNational Collection of Type CulturesSlade et al. 2022
ProkaryotaStaphylococcus AureusNational Collections of Industrial Food and Marine Bacteria, American Type Culture Collection, Southmead HospitalSlade et al. 2022
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 AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
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
ProkaryotaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
ProkaryotaStreptococcus Uberisn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaen/aNAHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcin/aNAHettinga et al. 2008
ProkaryotaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait 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
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
ProkaryotaEscherichia Colin/aNAHettinga et al. 2008
ProkaryotaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al. 2011
ProkaryotaBacillus AmyloliquefaciensnanaAsari et al. 2016
ProkaryotaLactobacillus Rhamnosuscan 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
ProkaryotaLactobacillus RhamnosusnanaPogačić et al. 2016
EukaryotaTuber BorchiiAroma active compound in Tuber melanosporum and Tuber aestivum syn Tuber uncinatumnaSplivallo and Ebeler 2015
ProkaryotaStaphylococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPaenibacillus Polymyxacollection TU GrazRybakova et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
ProkaryotaBacillus ThuringiensisKoilybayeva et al. 2023
ProkaryotaBacillus ToyonensisKoilybayeva et al. 2023
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
EukaryotaSaccharomyces CerevisiaePeng et al. 2023
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaStreptococcus PneumoniaeModified Lacks MediaSPME/GCxGC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaErwinia AmylovoraLuria-Bertani (LB)PTR-MS / SPME / GC-MSno
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno
EukaryotaFusarium Oxysporum1/5th PDA mediumGC-MSno
ProkaryotaBacillus VelezensisMOLP mediaSPME/GC-MSyes
ProkaryotaStreptococcus PyogenesTS agar/blood agarHS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusTS agar/blood agarHS-SPME/GC-MSno
EukaryotaTuber MagnatumGC-MS-Ono
ProkaryotaStaphylococcus AureusBHI media, TSB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus EpidermidisLB mediaHS-SPME/GC×GC-TOFMSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
ProkaryotaStreptococcus UberisMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS no
ProkaryotaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS no
ProkaryotaEscherichia Colimilk samplesGC-MS(BPX-5)no
ProkaryotaStaphylococcus Aureusmilk samplesGC-MS(BPX-5)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
ProkaryotaEscherichia ColiMilkHS-SPME/GC-MS no
ProkaryotaStaphylococcus Sciuri864 liquid mediumSPME-GC/MSno
ProkaryotaBacillus AmyloliquefaciensM9AGC/MSno
ProkaryotaLactobacillus RhamnosusMan Rogosa Sharpe broth (MRS)Tenax-trap/GC-MSno
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
EukaryotaTuber BorchiinaSPME-GC/MS/O); GC-Ryes
ProkaryotaStaphylococcus Sp.n/an/ano
ProkaryotaPaenibacillus PolymyxaGC-MS / SPMEno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF 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
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
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 Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
EukaryotaSaccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


3-hydroxybutan-2-one

Mass-Spectra

Compound Details

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

Yes

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

mVOC Specific Details

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

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


Acetaldehyde

Mass-Spectra

Compound Details

Synonymous names
acetaldehyde
ethanal
75-07-0
acetic aldehyde
ethyl aldehyde
Acetaldehyd
Acetylaldehyde
aldehyde
Aldeide acetica
Octowy aldehyd
Aldehyde acetique
Ethylaldehyde
Azetaldehyd
Acetic ethanol
RCRA waste number U001
NSC 7594
acetaldehydes
NCI-C56326
Acetaldehyde (natural)
FEMA No. 2003
CCRIS 1396
HSDB 230
ACETYL GROUP
ethaldehyde
CHEBI:15343
UNII-GO1N1ZPR3B
GO1N1ZPR3B
AI3-31167
EINECS 200-836-8
MFCD00006991
UN1089
DTXSID5039224
CH3CHO
NSC-7594
DTXCID202
ethanone
NSC7594
EC 200-836-8
ACETALDEHYDE (IARC)
ACETALDEHYDE [IARC]
ACETALDEHYDE (USP-RS)
ACETALDEHYDE [USP-RS]
Acetaldehyd [German]
Acetaldehido
Octowy aldehyd [Polish]
Aldeide acetica [Italian]
Aldehyde acetique [French]
Acetic aldehyde; Ethanal; Ethyl aldehyde; NSC 7594
RCRA waste no. U001
Acetaldehyde, >=99%, meets FCC analytical specification
acetaldhyde
acetoaldehyde
Acetaldeyde
Acetehyde
acetic hydride
ethan-1-one
8 - Formaldehyde
Acetaldehyde1501
MeCHO
Acetaldehyde Phenolic
ACETALD
CH2CHO
ACETALDEHYDE [MI]
ACETALDEHYDE [FCC]
bmse000647
Epitope ID:145667
ACETALDEHYDE [FHFI]
ACETALDEHYDE [HPUS]
ACETALDEHYDE [HSDB]
ACETALDEHYDE [INCI]
WLN: VH1
Pesticide Code: 202300
ACETALDEHYDE [WHO-DD]
Acetaldehyde, >=99%, FG
BIDD:ER0621
Acetaldehyde, >=99%, FCC
CHEMBL170365
GTPL6277
Acetaldehyde, analytical standard
CHEBI:16571
DTXSID30185596
STR01382
Tox21_202479
Acetaldehyde, natural, >=99%, FG
Acetaldehyde, ReagentPlus(R), 99%
STL264249
AKOS000120180
Acetaldehyde 1000 microg/mL in Water
MCULE-6800925955
UN 1089
Acetaldehyde, ACS reagent, >=99.5%
CAS-75-07-0
Acetaldehyde, >=99%, FCC, stabilized
NCGC00091753-01
NCGC00260028-01
Acetaldehyde 1000 microg/mL in Methanol
InChI=1/C2H4O/c1-2-3/h2H,1H
Acetaldehyde, >=90.0%, SAJ first grade
Acetaldehyde [UN1089] [Flammable liquid]
NS00010070
EN300-19152
C00084
D78540
Q61457
Acetaldehyde, ReagentPlus(R), >=99.0% (GC)
A838317
BRD-K77914232-001-01-3
Q57695648
Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC)
F2190-0651
Flavor and Extract Manufacturers' Association Number 2003
Acetaldehyde, United States Pharmacopeia (USP) Reference Standard
puriss. p.a., anhydrous, inverted exclamation markY99.5% (GC)
VINYL ALCOHOL (FROM ALCOHOLYSIS OR HYDROLYSIS OF VINYL ACETATE UNITS)
Microorganism:

Yes

IUPAC nameacetaldehyde
SMILESCC=O
InchiInChI=1S/C2H4O/c1-2-3/h2H,1H3
FormulaC2H4O
PubChem ID177
Molweight44.05
LogP-0.3
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes
CHEBI-ID15343
Supernatural-IDSN0147894

mVOC Specific Details

Boiling Point
DegreeReference
20.8 °C peer reviewed
Volatilization
The Henry's Law constant for acetaldehyde is 6.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetaldehyde 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 11 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 5.3 days(SRC). Acetaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 902 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) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci. Publ p. 125 (1984)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetaldehyde can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 21, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
902 mm Hg at 25 deg C;758 mm Hg at 20 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984., p. 125
MS-Links
MS-Links
1D-NMR-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAScotter et al. 2006
ProkaryotaNeisseria MeningitidisNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAScotter et al. 2006
ProkaryotaStaphylococcus AureusNANAJia et al. 2010
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaSerratia Myotisstimulate growth of Solanum tuberosumisolate 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
ProkaryotaStreptococcus PyogenesNational Collection of Type CulturesSlade et al. 2022
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTrichoderma Sp.Inhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.NAStotzky and Schenck 1976
EukaryotaSaccharomyces CerevisiaeInhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.NAStotzky and Schenck 1976
EukaryotaPuccinia GraminisInhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.NAStotzky and Schenck 1976
ProkaryotaEscherichia Colin/aNABunge et al. 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
EukaryotaTuber Oligospermumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaMuscodor Crispansn/aNAMitchell et al. 2010
ProkaryotaStreptococcus Uberismilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaemilk of cowsHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcimilk of cowsHettinga et al. 2008
EukaryotaAmylostereum Sp.NAMadden 1968
EukaryotaCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
EukaryotaPenicillium CamembertiNALarsen 1998
EukaryotaPenicillium CaseifulvumNALarsen 1998
EukaryotaPleurotus Ostreatusnawidespread in many temperate and subtropical forests throughout the world, saprobeLo Cantore et al. 2015
EukaryotaTuber BorchiinanaSplivallo and Ebeler 2015
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
EukaryotaTuber MelanosporumNoneFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2020
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
ProkaryotaLactiplantibacillus PlantarumChen et al. 2023
ProkaryotaMicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaPseudomonas Aeruginosahuman bloodSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaStreptococcus PneumoniaeBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusMHBSPME/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaSerratia MyotisMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStreptococcus PyogenesTS agar/blood agarHS-SPME/GC-MSno
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaStaphylococcus AureusMueller Hinton brothGC-MS(HPwax)no
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTrichoderma Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaPuccinia Graminisn/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
EukaryotaTuber Oligospermumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaMuscodor Crispanspotato dextrose agarSPME-GC-MSno
ProkaryotaStreptococcus UberisGCMS DSQno
ProkaryotaStreptococcus DysgalactiaeGCMS DSQno
ProkaryotaCoagulase-negative StaphylococciGCMS DSQno
EukaryotaAmylostereum Sp.no
EukaryotaCandida Shehataeyeast malt agarSPME, GC-MSyes
EukaryotaPenicillium Camembertino
EukaryotaPenicillium Caseifulvumno
EukaryotaPleurotus OstreatusMEASPME-GCno
EukaryotaTuber BorchiinaSPME-GC/MS/O); GC-Ryes
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber MelanosporumNonemicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


2-methylbutanal

Mass-Spectra

Compound Details

Synonymous names
2-Methylbutyraldehyde
2-METHYLBUTANAL
96-17-3
Butanal, 2-methyl-
2-Formylbutane
2-Ethylpropanal
2-Methylbutyric aldehyde
Butyraldehyde, 2-methyl-
Methylethylacetaldehyde
2-Methyl-1-butanal
Acetaldehyde, ethylmethyl-
2-methyl butyraldehyde
Methyl ethyl acetaldehyde
NSC 77077
.alpha.-Methylbutanal
FEMA No. 2691
.alpha.-Methylbutyraldehyde
(RS)-2-Methylbutanal
MFCD00006984
(+/-)-2-Methylbutanal
(+/-)-2-methylbutyraldehyde
.alpha.-Methylbutyric aldehyde
DTXSID2021818
CHEBI:16182
47H597M1YY
NSC-77077
alpha-Methylbutanal
DTXCID201818
alpha-Methylbutyraldehyde
alpha-2-Methyl-n-butanal
alpha-Methylbutyric aldehyde
CAS-96-17-3
2-Methyl-Butanal
CCRIS 2944
2-Methylbutyraldehyde (natural)
EINECS 202-485-6
BRN 1633540
UNII-47H597M1YY
AI3-33276
2-methyl butanal
2-methylbutan-1-al
RS)-2-Methylbutanal
sec-C4H9CHO
2-methyl-butyraldehyde
EC 202-485-6
2-Methylbutyraldehyde, 95%
3-01-00-02813 (Beilstein Handbook Reference)
(.+/-.)-2-Methylbutanal
WLN: VHY2&1
2-METHYL BUTANAL [FCC]
CHEMBL2270060
ACETALDEHYDE, METHYLETHYL-
NSC77077
STR03931
Tox21_201242
Tox21_302866
2-METHYLBUTYRALDEHYDE [FHFI]
2-Methylbutyraldehyde, >=95%, FG
2-Methylbutyraldehyde, natural, 98%
AKOS009107038
NCGC00249003-01
NCGC00256324-01
NCGC00258794-01
2-Methylbutyraldehyde, analytical standard
57456-98-1
DB-057627
M0166
NS00005134
EN300-26307
C02223
F71422
Q15633241
Microorganism:

Yes

IUPAC name2-methylbutanal
SMILESCCC(C)C=O
InchiInChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
FormulaC5H10O
PubChem ID7284
Molweight86.13
LogP1.1
Atoms6
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes
CHEBI-ID16182
Supernatural-IDSN0038761

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANAJia et al. 2010
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaStreptococcus PneumoniaeNANAMellors et al. 2018
ProkaryotaPseudomonas AeruginosaNANANeerincx et al. 2016
ProkaryotaCorynebacterium XerosisNATimm 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
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
ProkaryotaStaphylococcus EpidermidisDSMZ - Deutsche Sammlung von Mikroorganismen und ZellkulturenVerhulst et al. 2009
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
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 AureusNational Collections of Industrial Food and Marine Bacteria, American Type Culture Collection, Southmead HospitalSlade et al. 2022
EukaryotaTrichoderma VirideNAHung et al. 2013
EukaryotaTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaCeratocystis Sp.n/aNAStotzky and Schenck 1976
EukaryotaThielaviopsis Basicolan/aNAStotzky and Schenck 1976
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
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
ProkaryotaStaphylococcus Sp.n/aNASchulz and Dickschat 2007
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Magnatumn/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
EukaryotaTuber Oligospermumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al. 2012
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Uberisn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaen/aNAHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcin/aNAHettinga et al. 2008
EukaryotaAspergillus Sp.NAJelen and Grabarkiewicz-Szczesna 2005
EukaryotaFusarium Sp.NAJelen and Grabarkiewicz-Szczesna 2005
ProkaryotaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al. 2011
ProkaryotaProteus Sp.nafrom Microbial Type Culture Collection, Chandigarh and Sri Ramachandra University, Chennai, Tamilnadu, IndiaAarthi et al. 2014
ProkaryotaLactobacillus HelveticusnayoghurtPogačić et al. 2016
EukaryotaTuber Melanosporumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusMHBSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaStreptococcus PneumoniaeModified Lacks MediaSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaBrain Heart InfusionTD/GC-MSno
ProkaryotaCorynebacterium XerosisTSASPME, GC-MSno
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus Epidermidisblood agarGC-MSno
ProkaryotaPaenibacillus PolymyxaTSA media, Landy mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaTSA mediaHS-SPME/GC-MSno
EukaryotaAspergillus FlavusSNA 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 AureusTS agar/blood agarHS-SPME/GC-MSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
EukaryotaTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaCeratocystis Sp.n/an/ano
EukaryotaThielaviopsis Basicolan/an/ano
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
ProkaryotaStaphylococcus Sp.n/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Magnatumn/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
EukaryotaTuber Oligospermumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Uncinatumn/aSPME-GC-MSno
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus UberisMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS no
ProkaryotaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS no
EukaryotaAspergillus Sp.no
EukaryotaFusarium Sp.no
ProkaryotaStaphylococcus Sciuri866 liquid mediumSPME-GC/MSno
ProkaryotaProteus Sp.LB brothGC/MS, FT-IRno
ProkaryotaLactobacillus Helveticuscurd-based broth mediumGC/MSyes
EukaryotaTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaStaphylococcus EquorumMOLPHS-SPME-GC/MSno
ProkaryotaStaphylococcus EquorumSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


Ethyl Butanoate

Mass-Spectra

Compound Details

Synonymous names
ETHYL BUTYRATE
Ethyl butanoate
105-54-4
Butyric acid ethyl ester
Ethyl n-butyrate
Butanoic acid, ethyl ester
Ethyl n-butanoate
Butyric ester
Butyric ether
Butanoic acid ethyl ester
Butyric acid, ethyl ester
FEMA No. 2427
FEMA Number 2427
Ethyl 1-butyrate
Ethyl butyrate (natural)
n-Butyric acid ethyl ester
NSC 8857
CCRIS 6554
HSDB 406
UNII-UFD2LZ005D
EINECS 203-306-4
UFD2LZ005D
Ethyl ester of butanoic acid
BRN 0506331
DTXSID6040111
CHEBI:88764
AI3-18427
NSC-8857
MFCD00009394
DTXCID4020111
4-02-00-00787 (Beilstein Handbook Reference)
UN1180
?Ethyl butyrate
UN 1180
Ethyl butyrate, 99%
Butyric acid-ethyl ester
SCHEMBL6115
ETHYL BUTYRATE [MI]
ETHYL BUTYRATE [FCC]
WLN: 3VO2
CHEMBL44800
ETHYL BUTYRATE [FHFI]
ETHYL N-BUTYRATE [HSDB]
FEMA 2427
NSC8857
Ethyl butyrate, analytical standard
Tox21_300065
LMFA07010874
Ethyl butyrate, >=98%, FCC, FG
AKOS008948342
MCULE-9977024136
NCGC00247893-01
NCGC00253968-01
CAS-105-54-4
B0759
Ethyl butyrate, natural, >=98%, FCC, FG
NS00012380
EN300-54773
Ethyl butyrate [UN1180] [Flammable liquid]
Q412270
J-001444
F0001-0107
InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H
Microorganism:

Yes

IUPAC nameethyl butanoate
SMILESCCCC(=O)OCC
InchiInChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
FormulaC6H12O2
PubChem ID7762
Molweight116.16
LogP1.3
Atoms8
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID88764
Supernatural-IDSN0260928

mVOC Specific Details

Boiling Point
DegreeReference
120 °C peer reviewed
Volatilization
The Henry's Law constant for ethyl n-butyrate is estimated as 4.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 14.0 mm Hg(1), and water solubility, 4,900 mg/L(2). This Henry's Law constant indicates that ethyl n-butyrate 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 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)(3) is estimated as 5 days(SRC). Ethyl n-butyrate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethyl n-butyrate 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 Compounds Am Inst Chem Eng (1995) (2) Riddick JA et al; Organic Solvents New York, NY: John Wiley & Sons Inc. (1984) (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
Using a structure estimation method based on molecular connectivity indices(1), the Koc of ethyl n-butyrate can be estimated to be 20(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl n-butyrate 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 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
14.0 mm Hg at 20 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1995.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStreptococcus PyogenesNANAThorn et al. 2011
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaCandida AlbicansNAKarami et al. 2017
ProkaryotaEscherichia ColiNAKarami et al. 2017
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
ProkaryotaStaphylococcus AureusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin 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
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
ProkaryotaKlebsiella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaEscherichia Colin/aNAHettinga et al. 2008
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
EukaryotaGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2011
ProkaryotaLeuconostoc Mesenteroidesnagoat cheesePogačić et al. 2016
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
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
ProkaryotaStreptococcus Uberisn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaen/aNAHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcin/aNAHettinga et al. 2008
ProkaryotaEscherichia Colimilk of cowsHettinga et al. 2008
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
EukaryotaSaccharomyces CerevisiaePeng et al. 2023
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStreptococcus PyogenesTYESIFT-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
EukaryotaCandida AlbicansYPDSPME/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
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
ProkaryotaStaphylococcus AureusSodium chloride brothSPME, GC-MSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaCollimonas FungivoransHeadspace trapping/GC-MSno
ProkaryotaEscherichia ColiMilkHS-SPME/GC-MS no
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
EukaryotaGeotrichum Candidummedium 863SPME-GC-MSyes
ProkaryotaLeuconostoc Mesenteroidescurd-based broth mediumGC/MSyes
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
EukaryotaPenicillium CommuneMEAGC/MSno
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaStreptococcus UberisMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS no
ProkaryotaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS no
ProkaryotaEscherichia ColiGCMS DSQno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with 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
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
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
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
EukaryotaSaccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


Ethyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
ETHYL ISOVALERATE
108-64-5
Ethyl 3-methylbutanoate
Ethyl 3-methylbutyrate
Ethyl isopentanoate
Isovaleric acid, ethyl ester
Butanoic acid, 3-methyl-, ethyl ester
Ethyl beta-methylbutyrate
Ethyl isovalerianate
3-Methylbutyric acid ethyl ester
3-Methylbutanoic acid ethyl ester
FEMA No. 2463
Butyric acid, 3-methyl-, ethyl ester
Ethyl iso-pentanoate
ethyl 3-methyl-butanoate
Isovaleric Acid Ethyl Ester
Isopentanoic acid ethyl ester
DTXSID3047057
CHEBI:31571
NSC-8869
WE(2:0/4:0(3Me))
9ZZ5597636
Ethyl Isovalerate(Isovaleric Acid Ethyl Ester)
Ethyl isovalerate (natural)
CCRIS 1345
NSC 8869
EINECS 203-602-3
BRN 1744677
AI3-21996
ethyl iso-valerate
UNII-9ZZ5597636
MFCD00009203
Ethyl isovalerate, 98%
SCHEMBL27828
ETHYL ISOVALERATE [MI]
ETHYL ISOVALERATE [FCC]
Butyric acid, 3-methyl-, ethyl ester (6CI,7CI,8CI)
CHEMBL3183097
DTXCID1027057
ETHYL ISOVALERATE [FHFI]
FEMA 2463
PPXUHEORWJQRHJ-UHFFFAOYSA-
NSC8869
3-methyl-butyric acid ethyl ester
(CH3)2CHCH2C(O)OC2H5
WLN: 2OV1Y1 & 1
3-Methyl-butanoic acid ethyl ester
Tox21_301194
LMFA07010511
Ethyl isovalerate, analytical standard
AKOS008947869
MCULE-1409113611
Ethyl isovalerate, >=98%, FCC, FG
NCGC00248327-01
NCGC00255092-01
CAS-108-64-5
LS-13340
Ethyl isovalerate, purum, >=97.0% (GC)
I0194
NS00012424
Ethyl isovalerate, natural, >=98%, FCC, FG
J-002174
Q2815995
F1905-7028
InChI=1/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
Microorganism:

Yes

IUPAC nameethyl 3-methylbutanoate
SMILESCCOC(=O)CC(C)C
InchiInChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
FormulaC7H14O2
PubChem ID7945
Molweight130.18
LogP1.7
Atoms9
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID31571
Supernatural-IDSN0292052

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaAspergillus ClavatusNADickschat et al. 2018
ProkaryotaBacillus Sp.stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaBrevibacillus Agristimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaBacillus Tequilensisantifungal activity against the hyphae growth of Ceratocystis fimbriatarhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016Xu et al. 2021
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Uberisn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaen/aNAHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcin/aNAHettinga et al. 2008
EukaryotaGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2011
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
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
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 BorchiiT. 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
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
EukaryotaLentinula EdodesGeng et al. 2024
EukaryotaSaccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus AureusSodium chloride brothSPME, GC-MSno
EukaryotaAspergillus Clavatusmedium 129CLSA-GCMSno
ProkaryotaBacillus Sp.LB mediaSPME/GC-MSno
ProkaryotaBrevibacillus AgriLB mediaSPME/GC-MSno
ProkaryotaBacillus TequilensisLB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus UberisMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS no
ProkaryotaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS no
EukaryotaGeotrichum Candidummedium 863SPME-GC-MSyes
ProkaryotaNannocystis Exedensn/an/ano
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTuber Borchiiyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD 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
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
EukaryotaSaccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno


Butyl Butanoate

Mass-Spectra

Compound Details

Synonymous names
Butyl butyrate
109-21-7
Butyl butanoate
n-Butyl butyrate
Butanoic acid, butyl ester
n-Butyl butanoate
Butyric Acid Butyl Ester
1-Butyl butyrate
Butyl butylate
N-BUTYL N-BUTYRATE
Butyric acid, butyl ester
Butyl n-butyrate
Butylbutyrate
n-Butyl n-butanoate
FEMA No. 2186
butryl butyrate
Butyric acid n-butyl ester
NSC 8458
Butyl ester of butanoic acid
n-Butyric acid n-butyl ester
1BHV00T1M4
NSC-8458
WE(4:0/4:0)
Butyl butyrate (natural)
CCRIS 6551
butanoic acid butyl ester
n-BUTYL-n-BUTYRATE
EINECS 203-656-8
BRN 1747101
UNII-1BHV00T1M4
AI3-06125
Butyl butyrate, 98%
N-BUTYL-BUTYRATE
n-butyric n-butyl ester
Butyric acid-butyl ester
BUTYL BUTYRATE [FCC]
4-02-00-00789 (Beilstein Handbook Reference)
WLN: 4OV3
BUTYL BUTYRATE [FHFI]
SCHEMBL113994
DTXSID7041702
CHEBI:87429
FEMA 2186
N-BUTYL N-BUTYRATE [MI]
NSC8458
Butyl butyrate, analytical standard
LMFA07010418
MFCD00009450
Butyl butyrate, >=98%, FCC, FG
AKOS009165857
MCULE-3979612740
LS-13508
DB-003606
B0757
Butyl butyrate, natural, >=98%, FCC, FG
NS00012028
EN300-52980
A801979
J-002246
J-519960
Q2212471
Microorganism:

Yes

IUPAC namebutyl butanoate
SMILESCCCCOC(=O)CCC
InchiInChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
FormulaC8H16O2
PubChem ID7983
Molweight144.21
LogP2.2
Atoms10
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID87429
Supernatural-IDSN0440576

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Uberismilk of cowsHettinga et al. 2008
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus UberisGCMS DSQno
ProkaryotaStaphylococcus Aureusmilk samplesGC-MS(BPX-5)no
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno


Ethyl Acetate

Mass-Spectra

Compound Details

Synonymous names
ETHYL ACETATE
141-78-6
Ethyl ethanoate
Acetic acid ethyl ester
Acetoxyethane
Vinegar naphtha
Acetic ether
Ethyl acetic ester
Acetic acid, ethyl ester
Ethylacetate
Acetidin
Essigester
EtOAc
Acetic ester
Aethylacetat
Ethylacetat
1-acetoxyethane
AcOEt
RCRA waste number U112
Ethylacetaat
Octan etylu
FEMA No. 2414
Etile (acetato di)
Ethylazetat
Caswell No. 429
Ethyle (acetate d')
Acetate d'ethyle
Acetato de etilo
Ethyl acetate (natural)
Ethylester kyseliny octove
CHEBI:27750
Essigsaeureethylester
acetic-acid-ethylester
HSDB 83
NSC 70930
CCRIS 6036
acet-ethylester
acet-eth-ester
Ethyl ester of acetic acid
EINECS 205-500-4
MFCD00009171
NSC-70930
CH3-CO-O-CH3
EPA Pesticide Chemical Code 044003
UNII-76845O8NMZ
Ethyl acetate [NF]
DTXSID1022001
Ethyl Acetate, HPLC
AI3-00404
76845O8NMZ
DTXCID602001
EC 205-500-4
ETHYL ACETATE (1-13C)
ETHYL ACETATE (2-13C)
NSC70930
Ethyl acetate (NF)
NCGC00091766-01
E1504
ETHYL ACETATE (II)
ETHYL ACETATE [II]
Ethyl acetate, ACS reagent
ETHYL ACETATE (MART.)
ETHYL ACETATE [MART.]
Ethyl acetate; Ethyl ethanoate
Essigester [German]
Ethylacetaat [Dutch]
Aethylacetat [German]
Octan etylu [Polish]
ethyl-acetate
ETHYL ACETATE (EP MONOGRAPH)
ETHYL ACETATE [EP MONOGRAPH]
acetic acid ethyl
Acetate d'ethyle [French]
Acetato de etilo [Spanish]
Ethyl acetate, ACS reagent, >=99.5%
CAS-141-78-6
Etile (acetato di) [Italian]
Ethyle (acetate d') [French]
Ethylester kyseliny octove [Czech]
UN1173
CH3COOC2H5
RCRA waste no. U112
ethylaceate
ethylactate
ethylacteate
Etylacetate
ehtyl acetate
ethanol acetate
ethly acetate
ethyl acteate
ethyl_acetate
ehyl acetate
ethl acetate
ethy acetate
ethyl aceate
ethyl actate
etyl acetate
Acetyl ester
1-ethyl acetate
2~ethyl acetate
acetic ethyl ester
Etile(acetato di)
Et-OAc
Ethyle(acetate d')
Caswell No 429
acetic acid ethylester
CH3CO2Et
Ethyl acetate HPLC grade
Ethyl acetate, for HPLC
Ethyl acetate, 99.9%
Ethyl acetate, ACS grade
CH3CO2CH2CH3
Epitope ID:116868
for HPLC,99.9%
ETHYL ACETATE [MI]
Ethyl acetate, HPLC Grade
CH3CO2C2H5
ETHYL ACETATE [FCC]
ETHYL ACETATE [FHFI]
ETHYL ACETATE [HSDB]
ETHYL ACETATE [INCI]
Ethyl acetate, >=99.5%
WLN: 2OV1
CHEMBL14152
ACETIC ACID,ETHYL ESTER
Ethyl acetate, AR, >=99%
Ethyl acetate, LR, >=99%
ETHYL ACETATE [USP-RS]
ETHYL ACETATE [WHO-DD]
Ethyl acetate, analytical standard
Ethyl acetate, Environmental Grade
Ethyl acetate, anhydrous, 99.8%
Ethyl acetate, 99.9% low benzene
Tox21_111166
Tox21_202512
BDBM50128823
c0036
STL282717
Ethyl acetate, >=99%, FCC, FG
Ethyl acetate, HPLC grade, 99.8%
AKOS000121947
Ethyl acetate, Spectrophotometric Grade
MCULE-6628539781
UN 1173
Ethyl acetate, for HPLC, >=99.5%
Ethyl acetate, for HPLC, >=99.7%
Ethyl acetate, for HPLC, >=99.8%
Ethyl acetate, PRA grade, >=99.5%
NCGC00260061-01
Ethyl acetate, biotech. grade, >=99.8%
Ethyl acetate, ReagentPlus(R), >=99.5%
Ethyl acetate, ReagentPlus(R), >=99.8%
Ethyl acetate, tested according to Ph.Eur.
A0030
Ethyl acetate 100 microg/mL in Acetonitrile
Ethyl acetate, natural, >=99%, FCC, FG
Ethyl acetate, SAJ first grade, >=99.0%
NS00004207
Q0040
EN300-31487
Ethyl acetate [UN1173] [Flammable liquid]
Ethyl acetate, for HPLC, >=99.8% (GC)
Ethyl acetate, JIS special grade, >=99.5%
C00849
D02319
Ethyl acetate, capillary GC grade, >=99.5%
A807811
Q407153
Ethyl acetate, Laboratory Reagent, >=99.0% (GC)
Ethyl acetate, UV-IR min. 99.8%, isocratic grade
J-007556
J-521240
F0001-0489
InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H
Ethyl acetate, puriss. p.a., ACS reagent, >=99.5% (GC)
Ethyl acetate, United States Pharmacopeia (USP) Reference Standard
Ethylacetate, pure, meets the analytical specifications of Ph. Eur.
Ethyl Acetate, Pharmaceutical Secondary Standard; Certified Reference Material
Ethyl acetate, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)
Ethyl acetate, puriss. p.a., free of higher boiling impurities, >=99.9% (GC)
Ethyl acetate, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99.5% (GC)
Microorganism:

Yes

IUPAC nameethyl acetate
SMILESCCOC(=O)C
InchiInChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
FormulaC4H8O2
PubChem ID8857
Molweight88.11
LogP0.7
Atoms6
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID27750
Supernatural-IDSN0427928

mVOC Specific Details

Boiling Point
DegreeReference
77.1 °C peer reviewed
Volatilization
The Henry's Law constant for ethyl acetate is 1.34X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that ethyl acetate 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)(3) is estimated as 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)(3) is estimated as 6 days(SRC). Ethyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Ethyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 93.2 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jun 25, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1991)
Soil Adsorption
The Koc of ethyl acetate is estimated as 18(SRC), using a log Kow of 0.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethyl acetate is expected to have very high mobility in soil(SRC). A log Ki (snow surface/air (cu m/sq m)) of -3.69 has been reported for sorption to snow(4).
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. 9 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jun 25, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 23 (1983) (4) Roth CM et al; Environ Sci Technol 38: 4078-4084 (2004)
Vapor Pressure
PressureReference
93.2 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1991)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaStreptococcus PyogenesNANAThorn et al. 2011
ProkaryotaKlebsiella PneumoniaeNANAAhmed et al. 2023
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
EukaryotaAspergillus FumigatusNANAAhmed et al. 2018
EukaryotaCandida KruseiNANAHertel et al. 2016a
EukaryotaCandida GlabrataNANAHertel et al. 2016a
EukaryotaCandida TropicalisNANAHertel et al. 2016a
EukaryotaCandida AlbicansNANAHertel et al. 2016a
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
ProkaryotaStaphylococcus AureusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
EukaryotaAureobasidium PullulansNAContarino et al. 2019
EukaryotaMetschnikowia PulcherrimaNAContarino et al. 2019
EukaryotaSaccharomyces CerevisiaeNAContarino et al. 2019
EukaryotaWickerhamomyces AnomalusNAContarino et al. 2019
EukaryotaPenicillium DigitatumNASchnürer et al. 1999
EukaryotaPichia AnomalaNASchnürer et al. 1999
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
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin 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
EukaryotaFusarium OxysporumNAMoisan et al. 2021
EukaryotaMortierella Alpina/globalpinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Angustaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Bainieriisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Exiguaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Gamsiiisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Gemmiferaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Horticolaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Humilis/verticilataisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Hyalinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaEntomortierella Parvisporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Pseudozygosporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Solitariaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Zonataisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaGrosmannia ClavigeraNorthern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, AlbertaWang et al. 2020
EukaryotaOphiostoma Ipsisolated from bark beetle galleries in lodgepole pineWang et al. 2020
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
EukaryotaCeratocystis Sp.Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.NAStotzky and Schenck 1976
EukaryotaThielaviopsis BasicolaEnhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.NAStotzky and Schenck 1976
EukaryotaDipodascus AggregatusEnhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.NAStotzky and Schenck 1976
EukaryotaSaccharomyces CerevisiaeEnhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.NAStotzky and Schenck 1976
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/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
EukaryotaNeurospora Sp.n/aNAPastore  et al. 1994
EukaryotaMuscodor Crispansn/aNAMitchell et al. 2010
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
EukaryotaNeurospora Sitophilan/aNAPastore et al. 1994
ProkaryotaEscherichia Colin/aNAHettinga et al. 2008
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Uberisn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaen/aNAHettinga et al. 2008
EukaryotaSaccharomyces Cerevisiaecontrol citrus black spot disease fermentation processesToffano et al. 2017
EukaryotaGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2011
EukaryotaCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
EukaryotaCeratocystis FagacearumNALin and Phelan 1992
ProkaryotaLeuconostoc Citreumnagoat cheese wheyPogačić et al. 2016
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis 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
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
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
EukaryotaLentinula EdodesGeng et al. 2024
EukaryotaFusarium GraminearumBallot et al. 2023
ProkaryotaLactobacillus PlantarumZhang et al. 2023
EukaryotaCyberlindnera FabianiiMa et al. 2023
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaStreptococcus PyogenesTYESIFT-MSno
ProkaryotaKlebsiella PneumoniaeNBTD/GC-MSno
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
EukaryotaAspergillus FumigatusAMMTD/GC-MSno
EukaryotaCandida KruseiSDATD/GC-MSno
EukaryotaCandida GlabrataSDATD/GC-MSno
EukaryotaCandida TropicalisSDATD/GC-MSno
EukaryotaCandida AlbicansSDATD/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
ProkaryotaStaphylococcus AureusSodium chloride brothSPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaAureobasidium PullulansYPDA(HS)-SPME/GC-MSno
EukaryotaMetschnikowia PulcherrimaYPDA(HS)-SPME/GC-MSno
EukaryotaSaccharomyces CerevisiaeYPDA(HS)-SPME/GC-MSno
EukaryotaWickerhamomyces AnomalusYPDA(HS)-SPME/GC-MSno
EukaryotaPenicillium Digitatummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
EukaryotaPichia Anomalamalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.DYGS mediaHS-SPME/GC-MSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaFusarium Oxysporum1/5th PDA mediumGC-MSno
EukaryotaMortierella Alpina/globalpinaPD agarPTR-ToF-MSno
EukaryotaMortierella AngustaPD agarPTR-ToF-MSno
EukaryotaMortierella BainieriPD agarPTR-ToF-MSno
EukaryotaLinnemannia ExiguaPD agarPTR-ToF-MSno
EukaryotaLinnemannia GamsiiPD agarPTR-ToF-MSno
EukaryotaMortierella GemmiferaPD agarPTR-ToF-MSno
EukaryotaPodila HorticolaPD agarPTR-ToF-MSno
EukaryotaPodila Humilis/verticilataPD agarPTR-ToF-MSno
EukaryotaLinnemannia HyalinaPD agarPTR-ToF-MSno
EukaryotaEntomortierella ParvisporaPD agarPTR-ToF-MSno
EukaryotaMortierella PseudozygosporaPD agarPTR-ToF-MSno
EukaryotaMortierella SolitariaPD agarPTR-ToF-MSno
EukaryotaMortierella ZonataPD agarPTR-ToF-MSno
EukaryotaGrosmannia ClavigeraPDA mediaGC-MSno
EukaryotaOphiostoma IpsPDA mediaGC-MSno
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTrichoderma VirideLow mediumGC/MSno
EukaryotaTrichoderma PseudokoningiiLow mediumGC/MSno
EukaryotaCeratocystis Sp.n/an/ano
EukaryotaThielaviopsis Basicolan/an/ano
EukaryotaDipodascus Aggregatusn/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
ProkaryotaSerratia Sp.n/an/ano
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaNeurospora Sp.potato dextrose agardynamic headspace/gas chromatographyno
EukaryotaMuscodor Crispanspotato dextrose agarSPME-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
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
EukaryotaNeurospora SitophilaMalt extractHeadspace/gas chromatographyno
ProkaryotaEscherichia ColiMilkHS-SPME/GC-MS no
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus UberisMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS no
EukaryotaSaccharomyces CerevisiaeYEPDAGC/MSno
EukaryotaGeotrichum Candidummedium 863SPME-GC-MSyes
EukaryotaCandida Shehataeyeast malt agarSPME, GC-MSyes
EukaryotaCeratocystis Fagacearumno
ProkaryotaLeuconostoc Citreumcurd-based broth mediumGC/MSyes
EukaryotaPenicillium CommuneMEAGC/MSno
EukaryotaTuber Borchiiyes
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-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
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
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) 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
ProkaryotaPseudomonas SegetisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic 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
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
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
EukaryotaFusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno
EukaryotaCyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


Ethyl Hexanoate

Mass-Spectra

Compound Details

Synonymous names
ETHYL HEXANOATE
Ethyl caproate
123-66-0
Hexanoic acid, ethyl ester
Ethyl hexoate
Hexanoic Acid Ethyl Ester
Caproic acid ethyl ester
Capronic ether absolute
Ethyl n-hexanoate
Ethyl butyl acetate
Ethyl hexanoate (caproate)
Acetic acid, butyl-, ethyl ester
FEMA No. 2439
n-Caproic acid ethyl ester
NSC 8882
Ethyl ester of hexanoic acid
FLO6YR1SHT
DTXSID3021980
NSC-8882
WE(2:0/6:0)
CCRIS 6555
Caproic acid ethylester
UNII-FLO6YR1SHT
EINECS 204-640-3
Ethyl hexanoate (caproate) (natural)
BRN 1701293
ethyl capronate
AI3-15347
?Ethyl caproate
Ethyl n-hexanoat
2-Ethyl Hexanoate
MFCD00009511
Hexanoic acid-ethyl ester
Ethyl butyl acetate (dot)
Ethyl hexanoate, >=99%
ETHYL CAPROATE [MI]
SCHEMBL37297
WLN: 5VO2
ETHYL HEXANOATE [FCC]
ETHYL HEXANOATE [FHFI]
DTXCID301980
CHEBI:86055
FEMA 2439
NSC8882
Tox21_301217
LMFA07010434
AKOS008947981
Ethyl hexanoate, >=98%, FCC, FG
MCULE-5403677128
Caproic acid ethyl ester, Ethyl caproate
NCGC00255157-01
CAS-123-66-0
Ethyl hexanoate; Caproic acid ethyl ester
LS-13515
H0108
NS00004110
Ethyl hexanoate, analytical reference material
Ethyl hexanoate, natural, >=98%, FCC, FG
Ethyl hexanoate, SAJ special grade, >=99.0%
Q905406
J-004970
Hexanoic acid-ethyl ester 10 microg/mL in Acetonitrile
Microorganism:

Yes

IUPAC nameethyl hexanoate
SMILESCCCCCC(=O)OCC
InchiInChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
FormulaC8H16O2
PubChem ID31265
Molweight144.21
LogP2.4
Atoms10
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID86055
Supernatural-IDSN0346034

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
ProkaryotaStaphylococcus AureusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaAspergillus ClavatusNADickschat et al. 2018
EukaryotaCandida SakeKing George Island,South Shetland Islands,AntarcticaArrarte et al. 2017
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
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
EukaryotaNeurospora Sp.n/aNAPastore et al. 1994
EukaryotaNeurospora Sitophilan/aNAPastore et al. 1994
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaEscherichia Colin/aNAHettinga et al. 2008
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Uberisn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaen/aNAHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcin/aNAHettinga et al. 2008
EukaryotaGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2011
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
ProkaryotaLactobacillus FermentumnanaPogačić et al. 2016
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
EukaryotaNeurospora Sp.n/aNAPastore  et al. 1994
EukaryotaAspergillus Candiduscompost Fischer et al. 1999
EukaryotaTrichoderma VirensNACrutcher et al. 2013
EukaryotaTrichoderma AtrovirideNACrutcher et al. 2013
EukaryotaTrichoderma ReeseiNACrutcher et al. 2013
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
EukaryotaSaccharomyces CerevisiaeNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2020
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
EukaryotaDebaryomyces HanseniiLi et al. 2023
EukaryotaSaccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
ProkaryotaStaphylococcus AureusSodium chloride brothSPME, GC-MSno
EukaryotaAspergillus Clavatusmedium 129CLSA-GCMSno
EukaryotaCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
EukaryotaNeurospora Sp.Malt extractHeadspace/gas chromatographyno
EukaryotaNeurospora SitophilaMalt extractHeadspace/gas chromatographyno
ProkaryotaCollimonas PratensisHeadspace trapping/GC-MSno
ProkaryotaEscherichia ColiMilkHS-SPME/GC-MS no
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus UberisMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS no
ProkaryotaCoagulase-negative StaphylococciHS-SPME/GC-MS no
EukaryotaGeotrichum Candidummedium 863SPME-GC-MSyes
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
ProkaryotaLactobacillus Fermentumcurd-based broth mediumGC/MSyes
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
EukaryotaNeurospora Sp.potato dextrose agardynamic headspace/gas chromatographyno
EukaryotaAspergillus Candidusyest extract sucroseTenax/GC-MSno
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTuber MelanosporumNoneNoneyes
EukaryotaTuber IndicumNoneNoneyes
EukaryotaSaccharomyces Cerevisiaeliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
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
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
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
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
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
EukaryotaSaccharomyces Cerevisiaesynthetic 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
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
EukaryotaDebaryomyces Hanseniimeat with coconut oilGC-MSno
EukaryotaSaccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno


Butan-2-one

Mass-Spectra

Compound Details

Synonymous names
2-Butanone
METHYL ETHYL KETONE
Butan-2-one
Butanone
78-93-3
Ethyl methyl ketone
Methylethyl ketone
Meetco
Methyl acetone
Methylethylketone
3-Butanone
Ethylmethylketon
ethylmethylketone
Aethylmethylketon
Butanone 2
Acetone, methyl-
Ethyl methyl cetone
Metiletilchetone
Metyloetyloketon
Ketone, ethyl methyl
MEK
ethylmethyl ketone
Metyl ethyl ketone
methylacetone
methyl(ethyl) ketone
Metiletilcetona
Oxobutane
RCRA waste number U159
Methylethylketon
Caswell No. 569
Ethylmethylcetone
2-butanon
FEMA No. 2170
HSDB 99
CCRIS 2051
UNII-6PT9KLV9IO
6PT9KLV9IO
2-Oxobutane
C2H5COCH3
methyl ethylketone
AI3-07540 (USDA)
EINECS 201-159-0
methyl ethyl cetone
EPA Pesticide Chemical Code 044103
ethyl(methyl) ketone
DTXSID3021516
CHEBI:28398
AI3-07540
MFCD00011648
2-Butanone, HPLC Grade
2-BUTANONE-D8
DTXCID801516
EC 201-159-0
Butanone 2 [French]
METHYL ETHYL KETONE (II)
METHYL ETHYL KETONE [II]
Ethylmethylketon [Dutch]
METHYL ETHYL KETONE (MART.)
METHYL ETHYL KETONE [MART.]
Metiletilcetona [Spanish]
Metyloetyloketon [Polish]
Aethylmethylketon [German]
Ethylmethylcetone [French]
Metiletilchetone [Italian]
2-Butanone, ACS reagent, >=99.0%
methyl-ethyl ketone
Ethyl methyl cetone [French]
Butanon, Ethylmethylketon, Methylethylketon, MEK
UN1193
methyl ethyl ketone (mek)
RCRA waste no. U159
n-butanone
2-butanal
ethyl methylketone
ethylmathyl ketone
methyl-ethylketone
methylethyl-ketone
butane-2-one
2 -butanone
2- butanone
butan-3-one
methyl etyl ketone
ethyl-methyl ketone
methyl-ethyl-ketone
Ethyl, methyl ketone
Ketone, methyl ethyl
Caswell No 569
2-Butanone, ACS grade
MEK [INCI]
2-BUTANONE [FCC]
2-BUTANONE [FHFI]
Pesticide Code: 044103
ghl.PD_Mitscher_leg0.417
CHEMBL15849
2-Butanone, analytical standard
2-Butanone, LR, >=99%
METHYL ETHYL KETONE [MI]
Methyl ethyl ketone, ACS reagent
METHYL ETHYL KETONE [HSDB]
2-Butanone, AR, >=99.5%
METHYL ETHYL KETONE [VANDF]
2-Butanone, technical grade, 99%
Tox21_200041
LMFA12000043
STL146562
2-Butanone, HPLC Grade, 99.5%
2-Butanone, natural, >=99%, FG
METHYL ETHYL KETONE [USP-RS]
AKOS000118991
2-Butanone, for HPLC, >=99.7%
MCULE-8276670748
UN 1193
2-Butanone, puriss., >=99% (GC)
2-Butanone, ReagentPlus(R), >=99%
CAS-78-93-3
2-Butanone, >=99.5%, FCC, FG
NCGC00090973-01
NCGC00090973-02
NCGC00257595-01
BP-30009
2-Butanone 100 microg/mL in Acetonitrile
Ethyl methyl ketone or methyl ethyl ketone
2-Butanone, SAJ first grade, >=99.0%
2-Butanone, JIS special grade, >=99.0%
E0140
NS00003885
C02845
2-Butanone, HPLC grade, for HPLC, >=99.5%
A839534
ETHYL METHYL KETONE (METHYL ETHYL KETONE)
Q372291
InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H
2-Butanone, puriss., ACS reagent, reag. Ph. Eur., 99.5%
2-Butanone, 5000 mug/mL in methanol: water (9:1), analytical standard
2-Butanone, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)
Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]
Methyl ethyl ketone, United States Pharmacopeia (USP) Reference Standard
Methyl Ethyl Ketone, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namebutan-2-one
SMILESCCC(=O)C
InchiInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
FormulaC4H8O
PubChem ID6569
Molweight72.11
LogP0.3
Atoms5
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones
CHEBI-ID28398
Supernatural-IDSN0481919

mVOC Specific Details

Boiling Point
DegreeReference
79.59 °C peer reviewed
Volatilization
The Henry's Law constant for methyl ethyl ketone is 4.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that methyl ethyl ketone 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 18 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 8.2 days(SRC). Methyl ethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl ethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 90.6 mm Hg(3). The volatilization half-life of methyl ethyl ketone from silt and sandy loams was measured as 4.9 days(4).
Literature: (1) Ji C, Evans EM; Environ Toxicol Chem 26(2): 231-236 (2007) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995) (4) Anderson TA et al; J Environ Qual 20: 420-24 (1991)
Soil Adsorption
Measured Koc values of 29 and 34 were obtained for methyl ethyl ketone in a silt loam and sandy loam soil respectively(1). A measured Koc value of 3.55 has also been reported(2). According to a classification scheme(3), these Koc values suggest that methyl ethyl ketone is expected to have very high mobility in soil(SRC).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-58 (1992) (2) ATSDR; Toxicological Profile for 2-Butanone. Atlanta, GA: Agency for Toxic Substances and Disease Registry, US Public Health Service (1992). Available from, as of Dec 8, 2014: http://www.atsdr.cdc.gov/toxprofiles/index.asp (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
90.6 mm Hg at 25 deg CAlarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas RhizophilaNANAShestivska et al. 2015
ProkaryotaStenotrophomonas MaltophiliaNANAShestivska et al. 2015
ProkaryotaMycobacterium BovisNANAKüntzel et al. 2018
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaKlebsiella PneumoniaeNANAZechman et al. 1986
ProkaryotaKlebsiella PneumoniaeNANABoots et al. 2014
ProkaryotaPseudomonas AeruginosaNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANABoots et al. 2014
ProkaryotaPseudomonas AeruginosaNANANA
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAZechman et al. 1986
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
ProkaryotaBrevibacterium EpidermidisNATimm et al. 2018
ProkaryotaCorynebacterium XerosisNATimm 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
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 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
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
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
EukaryotaChaetomium IndicumNAMoisan et al. 2021
ProkaryotaStreptococcus PyogenesNational Collection of Type CulturesSlade et al. 2022
ProkaryotaStaphylococcus AureusNational Collections of Industrial Food and Marine Bacteria, American Type Culture Collection, Southmead HospitalSlade et al. 2022
ProkaryotaStaphylococcus AureusAmerican 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
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
EukaryotaTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al. 2012
EukaryotaMuscodor Crispansn/aNAMitchell et al. 2010
EukaryotaPhoma Sp.n/aNAStrobel et al. 2011
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
ProkaryotaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaStaphylococcus Aureusmilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus Uberismilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaemilk of cowsHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcimilk of cowsHettinga et al. 2008
ProkaryotaLactobacillus Caseifermented milkGallegos et al. 2017
ProkaryotaLactobacillus ParacaseiSpanish strain collection CECTGallegos et al. 2017
ProkaryotaLactobacillus LactisSpanish strain collection CECTGallegos et al. 2017
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaSaccharomonospora RectivirgulanasoilWilkins 1996
ProkaryotaSaccharomonospora ViridisnasoilWilkins 1996
ProkaryotaThermoactinomyces VulgarisnasoilWilkins 1996
ProkaryotaThermomonospora FuscanasoilWilkins 1996
ProkaryotaStreptomyces Sp.nabreathing zone of a waste collection workerWilkins 1996
ProkaryotaLactobacillus SakeinaSake starterPogačić et al. 2016
ProkaryotaBacillus CereusnanaSu et al. 2016
ProkaryotaBrevibacterium EpidermidisnanaSu et al. 2016
ProkaryotaProteus PennerinanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
EukaryotaPhialophora FastigiatananaSunesson et al. 1995
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaCyanobacteria Sp.As part of a multicomponent odour it is also an attractant for the freshwater nematode Bursilla monhystera.NASchulz and Dickschat 2007
EukaryotaTuber Mesentericumn/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
EukaryotaTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Melanosporumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaPseudomonas Perolensnasterile fish muscle (Sebastes melanops)Miller et al. 1973
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaEscherichia ColiNANAAlmeida 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
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaLentinula EdodesGeng et al. 2024
EukaryotaFusarium GraminearumBallot et al. 2023
ProkaryotaMicrobacteriumBallot et al. 2023
ProkaryotaLactobacillus PlantarumZhang et al. 2023
ProkaryotaCitrobacter FreundiiTallon et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas RhizophilaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaMycobacterium BovisHEYMNTD/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaKlebsiella PneumoniaeTSBTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeMueller–HintonTD/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaMueller–HintonTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus AureusTSBTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno
ProkaryotaBrevibacterium EpidermidisTSASPME, GC-MSno
ProkaryotaCorynebacterium XerosisTSASPME, 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-MSyes
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaArthrobacter UreafaciensTYB mediaGC-MSno
EukaryotaChaetomium Indicum1/5th PDA mediumGC-MSno
ProkaryotaStreptococcus PyogenesTS agar/blood agarHS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusTS agar/blood agarHS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusBHI mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaTuber Uncinatumn/aSPME-GC-MSno
EukaryotaMuscodor Crispanspotato dextrose agarSPME-GC-MSno
EukaryotaPhoma Sp.n/aSolid phase microextraction (SPME)no
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
EukaryotaTrichoderma VirideMalt extract/Low mediumGC/MSno
EukaryotaTrichoderma PseudokoningiiLow mediumGC/MSno
ProkaryotaEscherichia Colimilk samplesGC-MS(BPX-5)no
ProkaryotaStaphylococcus AureusGCMS DSQno
ProkaryotaStreptococcus UberisGCMS DSQno
ProkaryotaStreptococcus DysgalactiaeGCMS DSQno
ProkaryotaCoagulase-negative StaphylococciGCMS DSQno
ProkaryotaLactobacillus CaseiMRS agarGC-IMSyes
ProkaryotaLactobacillus ParacaseiMRS agarGC-IMSyes
ProkaryotaLactobacillus LactisMRS agarGC-IMSyes
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
ProkaryotaSaccharomonospora RectivirgulaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora ViridisNutrient agar CM3GC/MSno
ProkaryotaThermoactinomyces VulgarisNutrient agar CM3GC/MSno
ProkaryotaThermomonospora FuscaNutrient agar CM3GC/MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
ProkaryotaLactobacillus Sakeicurd-based broth mediumGC/MSyes
ProkaryotaBacillus CereusLB mediumSPME-GC/MSno
ProkaryotaBrevibacterium EpidermidisLB mediumSPME-GC/MSno
ProkaryotaProteus PenneriLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
EukaryotaPenicillium CommuneDG18GC/MSno
EukaryotaPaecilomyces VariotiiDG18GC/MSno
EukaryotaPhialophora FastigiataDG18GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaCyanobacteria Sp.n/an/ano
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaPseudomonas PerolensTrypticase soil agar (BBL)GC/MSno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-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
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
ProkaryotaStaphylococcus EquorumMOLPHS-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
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
ProkaryotaPseudomonas SegetisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
EukaryotaFusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno
ProkaryotaCitrobacter Freundiitryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaSPME/GC/MSno


Pentan-2-one

Mass-Spectra

Compound Details

Synonymous names
2-Pentanone
107-87-9
PENTAN-2-ONE
METHYL PROPYL KETONE
Ethyl acetone
Pentanone
Ethylacetone
Methyl n-propyl ketone
Propyl methyl ketone
Metylopropyloketon
Methylpropyl ketone
Methyl-propyl-cetone
FEMA No. 2842
pentanone-2
NSC 5350
4-methyl-2-butanone
n-propyl methyl ketone
Methyl-n-propyl ketone
n-C3H7COCH3
DTXSID0021888
CHEBI:16472
NSC-5350
I97392I10V
DTXCID301888
2-Pentanone (natural)
FEMA Number 2842
Metylopropyloketon [Polish]
CAS-107-87-9
Methyl-propyl-cetone [French]
HSDB 158
EINECS 203-528-1
UN1249
BRN 0506058
AI3-32118
2-pentanal
UNII-I97392I10V
2-Pentanone, 90%
3bh3
EC 203-528-1
2-PENTANONE [FCC]
2-PENTANONE [FHFI]
4-01-00-03271 (Beilstein Handbook Reference)
Methyl propyl ketone [UN1249] [Flammable liquid]
CHEMBL45345
WLN: 3V1
2-Pentanone, analytical standard
FEMA 2842
NSC5350
METHYL PROPYL KETONE [MI]
AMY25524
METHYL PROPYL KETONE [HSDB]
2-Pentanone, for HPLC, 99.5%
Tox21_201670
Tox21_303016
LMFA12000003
MFCD00009400
2-Pentanone, >=98%, FCC, FG
2-Pentanone, reagent grade, >=90%
AKOS000121554
MCULE-7174095676
UN 1249
2-Pentanone, >=99.0%, natural, FG
NCGC00249095-01
NCGC00256617-01
NCGC00259219-01
2-Pentanone, ultrapure grade, >=99.5%
NS00009081
P0060
EN300-21239
C01949
A801775
Q209460
Methyl propyl ketone [UN1249] [Flammable liquid]
F0001-0145
InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H
2-Pentanone, ReagentPlus(R), >=99%, purified by redistillation
Microorganism:

Yes

IUPAC namepentan-2-one
SMILESCCCC(=O)C
InchiInChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
FormulaC5H10O
PubChem ID7895
Molweight86.13
LogP0.9
Atoms6
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones
CHEBI-ID16472
Supernatural-IDSN0435014

mVOC Specific Details

Boiling Point
DegreeReference
102.26 °C peer reviewed
Volatilization
The Henry's Law constant for 2-pentanone is 8.36X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 2-pentanone 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 12 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 6.6 days(SRC). 2-Pentanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Pentanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.4 mm Hg(3).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 22-30 (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) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification 4th ed. NY, NY: Wiley Interscience (1985)
Soil Adsorption
The Koc of 2-pentanone is estimated as 75(SRC), using a log Kow of 0.91(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-pentanone is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (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
35.4 mm Hg at 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAZhu et al. 2010
ProkaryotaStaphylococcus AureusNANAZhu et al. 2010
ProkaryotaMycobacterium BovisNANAKüntzel et al. 2018
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaKlebsiella PneumoniaeNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAZechman et al. 1986
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
ProkaryotaPseudomonas AeruginosaNATimm et al. 2018
ProkaryotaBacillus Subtilispig (Sus scrofa domesticus) carcassCernosek et al. 2020
ProkaryotaIgnatzschineria Indicapig (Sus scrofa domesticus) carcassCernosek et al. 2020
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
ProkaryotaBacillus VelezensisNAMülner et al. 2020
ProkaryotaStaphylococcus AureusAmerican 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
EukaryotaTrichoderma VirideNAHung et al. 2013
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
EukaryotaAspergillus Nigern/aNAMeruva et al. 2004
EukaryotaAspergillus Ornatusn/aNAMeruva et al. 2004
EukaryotaPenicillium Chrysogenumn/aNAMeruva et al. 2004
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaEscherichia Colin/aNAHettinga et al. 2008
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Uberisn/aNAHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaen/aNAHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcin/aNAHettinga et al. 2008
ProkaryotaLactobacillus Caseifermented milkGallegos et al. 2017
ProkaryotaLactobacillus ParacaseiSpanish strain collection CECTGallegos et al. 2017
EukaryotaFusarium GraminearumNABusko et al. 2014
ProkaryotaSerratia Liquefaciensnasoil, water, plants; digestive tracts of rodents, insects, fish, humansSchöller et al. 1997
ProkaryotaLactobacillus RhamnosusnanaPogačić et al. 2016
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
ProkaryotaPaenibacillus Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaPedobacter Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaBacillus AmyloliquefaciensnanaAsari et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
EukaryotaMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al. 1991
EukaryotaTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
ProkaryotaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al. 2014
EukaryotaPenicillium ChrysogenumNoneNoneMeruva et al. 2004
EukaryotaRhizoctonia Solanicollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaPseudomonas SegetisNANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaLactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTSBSESI-MSno
ProkaryotaStaphylococcus AureusTSBSESI-MSno
ProkaryotaMycobacterium BovisHEYMNTD/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus AureusTSBTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
ProkaryotaPseudomonas AeruginosaTSASPME, GC-MSyes
ProkaryotaBacillus SubtilisNutrient AgarSPME-GC-MSno
ProkaryotaIgnatzschineria IndicaNutrient AgarSPME-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
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusBHI media, TSB mediaHS-SPME/GC×GC-TOFMSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
EukaryotaAspergillus NigerTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaAspergillus OrnatusTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaPenicillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaEscherichia ColiMilkHS-SPME/GC-MS no
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus UberisMilkHS-SPME/GC-MS no
ProkaryotaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS no
ProkaryotaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS no
ProkaryotaLactobacillus CaseiMRS agarGC-IMSyes
ProkaryotaLactobacillus ParacaseiMRS agarGC-IMSyes
EukaryotaFusarium Graminearumno
ProkaryotaSerratia LiquefaciensAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
ProkaryotaPaenibacillus Sp.sand containing artificial root exudatesGC/MSno
ProkaryotaPedobacter Sp.sand containing artificial root exudatesGC/MSno
ProkaryotaBacillus AmyloliquefaciensTSA/LBAGC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
EukaryotaMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
EukaryotaTuber Melanosporumyes
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaEscherichia Colimilk samplesGC-MS(BPX-5)no
EukaryotaPenicillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.yes
EukaryotaRhizoctonia SolaniPotato Dextrose Agar2Tenax TA / TDGC-MSyes
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
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisMOLPHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
EukaryotaPhytophthora CinnamomiV8 juice agarSPME/GC-MS/MSno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno


Heptan-2-one

Mass-Spectra

Compound Details

Synonymous names
2-HEPTANONE
Heptan-2-one
110-43-0
Methyl pentyl ketone
Butylacetone
Amyl methyl ketone
Methyl amyl ketone
Methyl n-amyl ketone
n-Amyl methyl ketone
n-Pentyl methyl ketone
Pentyl methyl ketone
Methyl n-pentyl ketone
Heptanone
Ketone, methyl pentyl
Amyl-methyl-cetone
Methyl-amyl-cetone
Ketone C-7
Methyl-n-amylketone
2-Heptanone (natural)
FEMA No. 2544
FEMA Number 2544
NSC 7313
HSDB 1122
1-Methylhexanal
2-Ketoheptane
2-Oxoheptane
EINECS 203-767-1
UNII-89VVP1B008
BRN 1699063
CCRIS 8809
CHEBI:5672
DTXSID5021916
AI3-01230
89VVP1B008
NSC-7313
CHEMBL18893
DTXCID601916
EC 203-767-1
4-01-00-03318 (Beilstein Handbook Reference)
Amyl-methyl-cetone [French]
Methyl-amyl-cetone [French]
CAS-110-43-0
methyl-n-amyl ketone
Methyl (n-amyl) ketone
UN1110
methylamyl ketone
heptanone-2
methylpentylketone
2-heptanal
MnAK
2-Heptanone, 98%
2-Heptanone, 99%
2-HEPTANONE [MI]
n-C5H11COCH3
2-HEPTANONE [FCC]
2-HEPTANONE [FHFI]
2-HEPTANONE [HSDB]
SCHEMBL29364
2-heptanone_GurudeebanSatyavani
SCHEMBL1122991
WLN: 5V1
2-Heptanone, analytical standard
NSC7313
2-Heptanone, natural, 98%, FG
Tox21_202164
Tox21_302935
BBL011381
BDBM50028842
LMFA12000004
MFCD00009513
STL146482
2-Heptanone, >=98%, FCC, FG
AKOS000120708
MCULE-6017828463
UN 1110
NCGC00249180-01
NCGC00256611-01
NCGC00259713-01
VS-02935
H0037
NS00007136
EN300-21047
C08380
A802193
Q517266
J-509557
n-Amyl methyl ketone [UN1110] [Flammable liquid]
InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H
Microorganism:

Yes

IUPAC nameheptan-2-one
SMILESCCCCCC(=O)C
InchiInChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
FormulaC7H14O
PubChem ID8051
Molweight114.19
LogP2
Atoms8
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones
CHEBI-ID5672
Supernatural-IDSN0040664

mVOC Specific Details

Boiling Point
DegreeReference
151.5 °C peer reviewed
Volatilization
An experimental Henry's Law constant of 1.69X10-4 atm cu m/mole at 25 deg C(1) indicates that 2-heptanone 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 4.8 hours(SRC). The volatilization half- life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). 2-Heptanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.86 mm Hg(3).
Literature: (1) Shiu WY, Mackay, D; J Chem Eng Data 42: 27-30 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents 4th ed. NY: Wiley Interscience (1986)
Soil Adsorption
The Koc of 2-heptonone is estimated as 280(SRC), using a log Kow of 1.98(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-heptanone is expected to have moderate 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. 35 (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
3.85 mm Hg at 25 deg CAmbrose D et al; J Chem Therm 7: 453-72 (1975)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANAAhmed et al. 2023
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
EukaryotaAspergillus FumigatusNANABazemore et al. 2012
ProkaryotaEscherichia ColiNANABoots et al. 2014
ProkaryotaKlebsiella PneumoniaeNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANABoots et al. 2014
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAZechman et al. 1986
ProkaryotaStaphylococcus AureusNANABoots et al. 2014
ProkaryotaEscherichia ColiNANAMaddula et al. 2009
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
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
ProkaryotaEscherichia ColiNAKarami et al. 2017
ProkaryotaPseudomonas AeruginosaNATimm 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
EukaryotaFusarium Oxysporum0NALi et al. 2018
ProkaryotaBacillus Amyloliquefaciens0rhizosphere soils of watermelon plantsWu et al. 2019
ProkaryotaIgnatzschineria Indicapig (Sus scrofa domesticus) carcassCernosek et al. 2020
EukaryotaFusarium OxysporumNALi et al. 2018
ProkaryotaKlebsiella Pneumoniaeclinical isolate,bacteremic patientsRees et al. 2017
ProkaryotaBacillus Muralisantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Pumilusantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaNovosphingobium Lindaniclasticumantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Subtilisantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Amyloliquefaciensantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Megateriumantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus SubtilisZhang et al. 2021
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
ProkaryotaStaphylococcus AureusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaStaphylococcus Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
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
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
ProkaryotaBacillus Sp.antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)NALópez et al. 2021
ProkaryotaBacillus VelezensisNAMülner 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
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
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaSerratia Proteamaculansn/aNAWeise et al. 2014
ProkaryotaSerratia Marcescensn/aNAWeise et al. 2014
EukaryotaCeratocystis Sp.n/aNAStotzky and Schenck 1976
EukaryotaThielaviopsis Basicolan/aNAStotzky and Schenck 1976
EukaryotaPenicillium Sp.n/aNABjurman et al. 1997
ProkaryotaCyanobacteria Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaPhormidium Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaCalothrix Parietinan/aNAHoeckelmann et al. 2004
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
ProkaryotaSerratia Odoriferan/aNAWeise et al. 2014
ProkaryotaBurkholderia Ambifarian/arhizosphereGroenhagen et al. 2013
EukaryotaTrichoderma Viriden/aNAHung 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
ProkaryotaEscherichia Colin/aNASiripatrawan et al. 2008
ProkaryotaStaphylococcus Aureusn/aNAHettinga et al. 2008
EukaryotaTrichoderma Virensn/aNACrutcher et al. 2013
EukaryotaTrichoderma Atroviriden/aNACrutcher et al. 2013
EukaryotaTrichoderma Reesein/aNACrutcher et al. 2013
ProkaryotaStreptococcus Uberismilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaemilk of cowsHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcimilk of cowsHettinga et al. 2008
ProkaryotaLactobacillus Caseifermented milkGallegos et al. 2017
ProkaryotaLactobacillus ParacaseiSpanish strain collection CECTGallegos et al. 2017
ProkaryotaSerratia Liquefaciensnasoil, water, plants; digestive tracts of rodents, insects, fish, humansSchöller et al. 1997
ProkaryotaPseudomonas Chlororaphisgrowth supressive effect on Agrobacterium tumefaciens C58 and Synechococcus sp. PCC 7942Rhizosphere of maize, Kiev region, UkrainePopova et al. 2014
ProkaryotaSerratia Proteamaculansnaspoiled meatPopova et al. 2014
ProkaryotaLactobacillus RhamnosusnanaPogačić et al. 2016
ProkaryotaBacillus AmyloliquefaciensnanaAsari et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaPhoma Sp.nanaNaznin et al. 2014
EukaryotaTuber AestivumnaTarsul (as normal forest); Daix (man made orchard)Molinier et al. 2015
EukaryotaTuber IndicumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
EukaryotaTrichoderma Atroviriden/aNAStoppacher et al. 2010
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
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 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
ProkaryotaBacillus VelezensisNANAToral et al. 2021
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaLentinula EdodesGeng et al. 2024
ProkaryotaLactobacillus PlantarumZhang et al. 2023
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeNBTD/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
EukaryotaAspergillus FumigatusSDA + ElastinTD/GC-MSno
EukaryotaAspergillus FumigatusSDA + BSATD/GC-MSno
ProkaryotaEscherichia ColiMueller–HintonTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaMueller–HintonTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus AureusTSBTD/GC-MSno
ProkaryotaStaphylococcus AureusMueller–HintonTD/GC-MSno
ProkaryotaEscherichia ColiNeidhardt minimal salt mediumTD/GC-MS and MCC-IMSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSyes
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
ProkaryotaEscherichia ColiMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaPseudomonas AeruginosaMOPS glucose+EZSPME, GC-MSno
ProkaryotaPseudomonas AeruginosaTSASPME, GC-MSno
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumPDA plateSPME-GC-MSno
ProkaryotaBacillus Amyloliquefaciensmodified Murashige-Skoog (MS) culture mediumSPME-GC-MSno
ProkaryotaIgnatzschineria IndicaNutrient AgarSPME-GC-MSno
EukaryotaFusarium Oxysporumpotato dextrose agarSPME, GC-MSno
ProkaryotaKlebsiella PneumoniaeBHI, LB, MHB, TSBSPME / GCxGC-TOFMSno
ProkaryotaBacillus MuralisNA mediaSPME/GC-MSyes
ProkaryotaBacillus PumilusNA mediaSPME/GC-MSyes
ProkaryotaNovosphingobium LindaniclasticumNA mediaSPME/GC-MSyes
ProkaryotaBacillus SubtilisNA mediaSPME/GC-MSyes
ProkaryotaBacillus AmyloliquefaciensNA mediaSPME/GC-MSyes
ProkaryotaBacillus MegateriumNA mediaSPME/GC-MSyes
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaNA mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaArthrobacter UreafaciensTYB mediaGC-MSno
ProkaryotaArthrobacter PhenanthrenivoransTYB mediaGC-MSno
ProkaryotaBacillus Sp.TYB mediaGC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSno
EukaryotaMrakia Blollopisartificial nectar mediaGC-MSno
EukaryotaTausonia Pullulansartificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Sp.artificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Capitatumartificial nectar mediaGC-MSno
ProkaryotaStaphylococcus Aureusmilk samplesGC-MS(BPX-5)no
ProkaryotaSerratia ProteamaculansNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia MarcescensNBIIHeadspace trapping/ GC-MSno
EukaryotaCeratocystis Sp.n/an/ano
EukaryotaThielaviopsis Basicolan/an/ano
EukaryotaPenicillium Sp.n/an/ano
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaPhormidium Sp.n/an/ano
ProkaryotaRivularia Sp.n/an/ano
ProkaryotaCalothrix Parietinan/an/ano
ProkaryotaSerratia Sp.n/an/ano
ProkaryotaSerratia OdoriferaNBIIHeadspace trapping/ GC-MSno
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-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
ProkaryotaEscherichia ColiSuper broth made up of tryptone, yeast, NaClHS-SPME/GC-MS no
ProkaryotaStaphylococcus AureusMilkHS-SPME/GC-MS no
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
ProkaryotaStreptococcus UberisGCMS DSQno
ProkaryotaStreptococcus DysgalactiaeGCMS DSQno
ProkaryotaCoagulase-negative StaphylococciGCMS DSQno
ProkaryotaLactobacillus CaseiMRS agarGC-IMSyes
ProkaryotaLactobacillus ParacaseiMRS agarGC-IMSyes
ProkaryotaSerratia LiquefaciensAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaPseudomonas ChlororaphisLB mediumSPME-GC/MSno
ProkaryotaSerratia ProteamaculansLB mediumSPME-GC/MSno
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
ProkaryotaBacillus AmyloliquefaciensnaGC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaPhoma Sp.naSPME-GC/MSno
EukaryotaTuber AestivumnaSPME-GC/MSno
EukaryotaTuber Indicumyes
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
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
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 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
ProkaryotaBacillus AtrophaeusSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Atrophaeustryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Velezensistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaLentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno