Results for:
chemical Classification: aromatic ketones

1-thiophen-2-ylethanone

Compound Details

Synonymous names
2-ACETYLTHIOPHENE
88-15-3
1-thiophen-2-yl-ethanone
1-(2-Thienyl)ethanone
2-Acetothienone
Methyl 2-thienyl ketone
1-(thiophen-2-yl)ethanone
2-Acetothiophene
Ethanone, 1-(2-thienyl)-
2-acetyl thiophene
2-Thienyl methyl ketone
Ketone, methyl 2-thienyl
1-thiophen-2-ylethanone
alpha-Acetylthiophene
2-Acethylthiophene
1-(2-thienyl)-ethanone
1-(thiophen-2-yl)ethan-1-one
Methyl-2-thienyl ketone
2-Acetylthiophen
NSC 2345
97511-16-5
THIOPHENE,2-ACETYL
CHEMBL401911
5ASO208T20
NSC-2345
MFCD00005442
2-Aceto thiophene
EINECS 201-804-6
BRN 0107910
2acetylthiophene
acetyl-thiophene
2-acetylthiole
AI3-08491
2-Acetyl-thiophene
ACETYLTHIOPHENE
2-Acetylthiophene, 98%
SCHEMBL3798
WLN: T5SJ BV1
2-(ACETYL)THIOFURAN
5-17-09-00387 (Beilstein Handbook Reference)
BIDD:GT0210
UNII-5ASO208T20
1-(2-Thienyl)ethanone, 9CI
DTXSID2058960
NSC2345
CHEBI:179841
2-Acetylthiophene, >=98%, FG
BCP24442
STR01324
BDBM50376211
STL183822
2-Acetylthiophene, analytical standard
AKOS000119817
AC-4918
AM82005
CS-W020047
MCULE-7771755380
PS-3261
HY-20585
DB-038374
A0724
NS00022862
EN300-17951
W18336
A842486
Q-100875
Q27261757
Z57127896
F0001-2186
InChI=1/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H
Microorganism:

Yes

IUPAC name1-thiophen-2-ylethanone
SMILESCC(=O)C1=CC=CS1
InchiInChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
FormulaC6H6OS
PubChem ID6920
Molweight126.18
LogP1.2
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds heterocyclic compounds aromatic ketones ketones sulfur compounds
CHEBI-ID179841
Supernatural-IDSN0423348

mVOC Specific Details

Boiling Point
DegreeReference
213 median
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno


1-phenylpropan-1-one

Mass-Spectra

Compound Details

Synonymous names
Propiophenone
93-55-0
1-phenylpropan-1-one
Ethyl phenyl ketone
Propionylbenzene
PHENYL ETHYL KETONE
1-Propanone, 1-phenyl-
1-Phenyl-1-propanone
Ketone, ethyl phenyl
Propionphenone
1-Phenyl-propan-1-one
USAF EK-1235
FEMA No. 3469
NSC 16937
2-methyl-acetophenone
E599A8OKQH
DTXSID2044470
CHEBI:425902
NSC-16937
2-Methyl acetophenone
HSDB 1177
EINECS 202-257-6
UNII-E599A8OKQH
BRN 0606215
propiophenon
Benzoylethane
phenylethylketone
AI3-00951
FEMA 3469
1-phenylpropanone
3szb
methyl-acetophenone
Propiophenone, 99%
Propiophenone, >=99%
PROPIOPHENONE [MI]
EC 202-257-6
WLN: 2VR
PROPIOPHENONE [FHFI]
SCHEMBL76464
4-07-00-00680 (Beilstein Handbook Reference)
PROPIOPHENONE [WHO-DD]
CHEMBL193446
DTXCID0024470
Propiophenone, analytical standard
PHENYL ETHYL KETONE [HSDB]
NSC16937
Tox21_302025
BBL027754
MFCD00009309
STL282500
AKOS000119030
MCULE-1646597293
CAS-93-55-0
NCGC00255954-01
Propiophenone, purum, >=99.0% (GC)
VS-08588
1-PROPANONE,1-PHENYL PROPIOPHENONE
NS00009925
P0519
1-PROPANONE,1-PHENYL PROPIOPHENONE
EN300-19183
Propiophenone, Vetec(TM) reagent grade, 99%
Q415446
W-100239
F0001-2238
Z104473068
InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H
Microorganism:

Yes

IUPAC name1-phenylpropan-1-one
SMILESCCC(=O)C1=CC=CC=C1
InchiInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
FormulaC9H10O
PubChem ID7148
Molweight134.17
LogP2.2
Atoms10
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds aromatic ketones ketones
CHEBI-ID425902
Supernatural-IDSN0193334

mVOC Specific Details

Boiling Point
DegreeReference
218.0 DEG C @ 760 MM HGBudavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 1244
Volatilization
The Henry's Law constant for phenyl ethyl ketone is estimated as 1.3X10-4 atm-cu m/mole at 20 deg C(SRC) from its experimental values for vapor pressure, 0.15 mm Hg at 20 deg C(1), and water solubility, 2000 mg/l at 20 deg C(1). This value indicates that phenyl ethyl ketone will volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 11 hours(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 7 days(2,SRC). Phenyl ethyl ketone's vapor pressure(1) and Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil may occur(SRC).
Literature: (1) Papa AJ, Sherman PDJR; Kirk Othmer Encycl Chem Tech 3rd ed NY,NY: Wiley 13: 894-941 (1981) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of phenyl ethyl ketone is estimated as approximately 370(SRC), using an experimental log Kow of 2.19(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that phenyl ethyl ketone has medium mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR: Hydrophobic, Electronic, and Steric Constants. ACS Professional Reference Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc pg 57 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
1.5 mm Hg at 20 deg CKirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V13 897 (1981)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaBurkholderia AmbifariaNAGroenhagen et al. 2013
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaLactobacillus FermentumnanaPogačić et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractyes
ProkaryotaBurkholderia PyrrociniaMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisLB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaLactobacillus Fermentumcurd-based broth mediumGC/MSyes


1-phenylethanone

Mass-Spectra

Compound Details

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

Yes

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

mVOC Specific Details

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

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


1-(4-aminophenyl)ethanone

Compound Details

Synonymous names
4'-Aminoacetophenone
99-92-3
4-Aminoacetophenone
1-(4-Aminophenyl)ethanone
p-Aminoacetophenone
4-ACETYLANILINE
p-Acetylaniline
Ethanone, 1-(4-aminophenyl)-
p-Aminoacetylbenzene
1-(4-Aminophenyl)Ethan-1-One
Acetophenone, 4'-amino-
Acetophenone, p-amino-
p-Aminoacetofenonu
USAF EK-631
NSC 3242
MFCD00007896
1-(4-Aminophenyl)-ethanone
1S58KH902I
NSC-3242
Acetophenone, 4-amino-
p-Aminoacetofenonu [Polish]
4'-aminoacetophenon
p-amino acetophenone
CCRIS 5061
HSDB 2711
1-acetyl-4-aminobenzene
EINECS 202-801-2
BRN 0471493
UNII-1S58KH902I
4-acetylanilin
AI3-01092
p-aminoacetophenon
p-amino-acetophenone
4-acetyl phenylamine
4-amino acetophenone
para-amino acetophenone
4'-Amino acetophenone
4-AMINO-ACETOPHENON
WLN: ZR DV1
1-(4-aminophenyl) ethanone
4'-Aminoacetophenone, 99%
4-14-00-00100 (Beilstein Handbook Reference)
SCHEMBL223335
4-ACETYLANILINE [HSDB]
CHEMBL3278329
DTXSID6052669
SCHEMBL12918413
NSC3242
BCP30575
STR00944
STL181959
AKOS000119076
CS-W009534
HY-W008818
MCULE-4764145437
PS-4587
SB75393
BP-13068
SY011145
A0251
NS00009372
4 inverted exclamation mark -Aminoacetophenone
EN300-17971
F11286
p-Aminoacetophenone; 1-(4-Aminophenyl)-ethanone
A846101
AC-907/25014209
W-100008
Q27252822
Z57127377
F2146-0311
CLENBUTEROL HYDROCHLORIDE IMPURITY D [EP IMPURITY]
InChI=1/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H
4'-Aminoacetophenone, for spectrophotometric det. of Ce, Pd, >=98.0% (NT)
4'-Aminoacetophenone, Pharmaceutical Secondary Standard; Certified Reference Material
1-(4-Aminophenyl)ethanone;p-Aminoacetophenone; 1-Acetyl-4-aminobenzene; 4-Acetylaniline; 4-Acetylphenylamine;Clenbuterol Impurity D
Microorganism:

Yes

IUPAC name1-(4-aminophenyl)ethanone
SMILESCC(=O)C1=CC=C(C=C1)N
InchiInChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
FormulaC8H9NO
PubChem ID7468
Molweight135.16
LogP0.8
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic ketones amines aromatic compounds benzenoids ketones nitrogen compounds
Supernatural-IDSN0112074

mVOC Specific Details

Boiling Point
DegreeReference
294 °C peer reviewed
Volatilization
The Henry's Law constant for 4-acetylaniline is estimated as 4.4X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-acetylaniline is expected to be essentially nonvolatile from water and moist soil surfaces(2). 4-Acetylaniline is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.3X10-4 mm Hg(SRC), determined from a fragment constant method(3).
Soil Adsorption
The Koc of 4-acetylaniline is estimated as 25(SRC), using a log Kow of 0.83(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-acetylaniline is expected to have very high mobility in soil. However, aromatic amines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(4,5), suggesting that mobility may be much lower in some soils(SRC). The initial bonding reaction is followed by a slower and much less reversible reaction believed to represent the addition of the amine to quinoidal structures followed by oxidation of the product to give an amino-substituted quinone; these processes represent pathways by which aromatic amines may be converted to latent forms in the biosphere(6).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno


1-phenylpropan-2-one

Mass-Spectra

Compound Details

Synonymous names
Phenylacetone
1-phenylpropan-2-one
1-Phenyl-2-propanone
103-79-7
Benzyl methyl ketone
Methyl benzyl ketone
Phenyl-2-propanone
1-Phenylacetone
2-Propanone, 1-phenyl-
3-Phenyl-2-propanone
Phenylmethyl methyl ketone
phenyl acetone
1-phenyl-propan-2-one
136675-26-8
phenylaceton
O7IZH10V9Y
CHEMBL3800510
NSC-9827
NSC 9827
Phenylacetone, 99%
EINECS 203-144-4
UNII-O7IZH10V9Y
(phenyl)acetone
AI3-02938
DEA No. 8501
methylbenzyl ketone
phenyl 2-propanone
1-phenyl propanedione
1-Phenylpropane-2-one
PHENYLACETONE [MI]
SCHEMBL43943
ghl.PD_Mitscher_leg0.660
DTXSID1059280
SCHEMBL13341529
CHEBI:52052
HSDB 8385
NSC9827
Phenylacetone, analytical standard
BCP22277
BDBM50167968
STL373560
AKOS004905656
MCULE-2102027204
NS00017966
A800807
Q418831
AMFETAMINE SULFATE IMPURITY B [EP IMPURITY]
InChI=1/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H
Microorganism:

Yes

IUPAC name1-phenylpropan-2-one
SMILESCC(=O)CC1=CC=CC=C1
InchiInChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
FormulaC9H10O
PubChem ID7678
Molweight134.17
LogP1.4
Atoms10
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds aromatic ketones ketones benzenoids
CHEBI-ID52052
Supernatural-IDSN0301338

mVOC Specific Details

Boiling Point
DegreeReference
214 °C peer reviewed
Volatilization
The Henry's Law constant for phenyl 2-propanone is estimated as 4.0X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that phenyl 2-propanone 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 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 80 days(SRC). Phenyl 2-propanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Phenyl 2-propanone has an estimated vapor pressure of 0.16 mm Hg(SRC), determined from a fragment constant method(3) and exists as a liquid under environmental conditions; therefore, phenyl 2-propanone may volatilize from dry soil.
Soil Adsorption
The Koc of phenyl 2-propanone is estimated as 80(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that phenyl 2-propanone is expected to have high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaKlebsiella Pneumoniaeclinical isolate,bacteremic patientsRees et al. 2017
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
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaLitoreibacter Sp.isolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaSerratia Plymuthican/aNAWeise et al. 2014
ProkaryotaSerratia Proteamaculansn/aNAWeise et al. 2014
ProkaryotaSerratia Marcescensn/aNAWeise et al. 2014
ProkaryotaSerratia Odoriferan/aNAWeise et al. 2014
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaKlebsiella PneumoniaeBHI, LB, MHB, TSBSPME / GCxGC-TOFMSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/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
ProkaryotaStaphylococcus EpidermidisBHI mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
ProkaryotaLitoreibacter Sp.marine broth agarOSSA/GC-MSno
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaSerratia PlymuthicaNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia ProteamaculansNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia MarcescensNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia OdoriferaNBIIHeadspace trapping/ GC-MSno
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno


2-hydroxy-1,2-diphenylethanone

Compound Details

Synonymous names
BENZOIN
119-53-9
2-Hydroxy-1,2-diphenylethanone
2-Hydroxy-2-phenylacetophenone
Benzoylphenylcarbinol
DL-BENZOIN
Ethanone, 2-hydroxy-1,2-diphenyl-
579-44-2
(+-)-Benzoin
alpha-Hydroxybenzyl phenyl ketone
Phenylbenzoyl carbinol
2-hydroxy-1,2-diphenylethan-1-one
alpha-Hydroxy-alpha-phenylacetophenone
Aerozoin
Phenyl-alpha-hydroxybenzyl ketone
desyl alcohol
FEMA No. 2132
NCI-C50011
9000-72-0
Acetophenone, 2-hydroxy-2-phenyl-
NSC 8082
Wy 42956
Hydroxy-2-phenyl acetophenone
2-hydroxy-1,2-diphenyl-ethanone
NSC-8082
MFCD00004496
a-Hydroxybenzyl phenyl ketone
CHEMBL190677
L7J6A1NE81
DTXSID1020144
CHEBI:17682
Phenyl-.alpha.-hydroxybenzyl ketone
Ketone, .alpha.-hydroxybenzyl phenyl
NCGC00091396-02
.alpha.-Hydroxy-.alpha.-phenylacetophenone
Ethanone, 2-hydroxy-1,2-diphenyl-, (A+/-)-
DTXCID10144
CCRIS 75
CAS-119-53-9
(RS)-Benzoin
Benzoin (VAN)
HSDB 384
Ketone, alpha-hydroxybenzyl phenyl
EINECS 204-331-3
EINECS 209-441-5
Fenyl-alpha-hydroxybenzylketon [Czech]
benzoine
BRN 0391839
UNII-L7J6A1NE81
Fenyl-alpha-hydroxybenzylketon
WY-42956
AI3-00851
Benzoin absolute
CCRIS 9123
DL-Benzoin; Desyl alcohol;(+/-)-2-Hydroxy-2-phenylacetophenone
2-hydroxy-1,2-diphenyl ethanone
Alpha-hydroxy-a-phenylacetophenone
benzoin resin siam
PhCH(OH)COPh
PhCOCH(OH)Ph
Benzoin, 98%
(+/-)-benzoin
(1)-2-Hydroxy-1,2-diphenylethan-1-one
Benzoin, >=98%
BENZOIN [MI]
(.+/-.)-Benzoin
WLN: QYR&VR
SCHEMBL145
EC 204-331-3
Hyperabsolute benzoin, Siam
Benzoin, analytical standard
Oprea1_687165
4-08-00-01279 (Beilstein Handbook Reference)
MLS002152893
a-Hydroxy-a-phenylacetophenone
FEMA No. 2133
2-hydroxy-2-phenyl-acetophenone
BENZOIN, (+/-)-
Fenyl-.alpha.-hydroxybenzylketon
BDBM22728
FEMA 2132
HSDB 1929
NSC8082
alpha -Hydroxybenzyl phenyl ketone
HMS3039I03
Phenyl-alpha -hydroxybenzyl ketone
.alpha.-Hydroxybenzyl phenyl ketone
HY-B1550
Tox21_111126
Tox21_201888
Tox21_302790
STK358785
AKOS000118894
AKOS016038141
Tox21_111126_1
2-Hydroxy-1,2-diphenylethanone, 9CI
Benzoin 100 microg/mL in Acetonitrile
CS-W020562
DB14020
MCULE-7039379354
alpha -Hydroxy-alpha -phenylacetophenone
NCGC00091396-01
NCGC00091396-03
NCGC00091396-05
NCGC00256433-01
NCGC00259437-01
AC-11139
Benzoin, Vetec(TM) reagent grade, 98%
BS-14748
SMR001224505
DB-018065
B0079
B0222
Benzoin Zone Refined (number of passes:40)
Benzoin, purified by sublimation, >=99.5%
NS00001432
EN300-18095
C01408
D77908
(+/-)-2-HYDROXY-1,2-DIPHENYLETHANONE
A804309
AE-848/06163047
Ethanone, 2-hydroxy-1,2-diphenyl-, (.+/-.)-
Q426819
SR-01000854680
J-004149
J-509605
SR-01000854680-2
Z57160197
F0001-0307
DL-Benzoin; Desyl alcohol;()-2-Hydroxy-2-phenylacetophenone
Ethanone, 2-hydroxy-1,2-diphenyl-, mixt. with aloe, storax and Tolu Balsam, tincture
Microorganism:

Yes

IUPAC name2-hydroxy-1,2-diphenylethanone
SMILESC1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
InchiInChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
FormulaC14H12O2
PubChem ID8400
Molweight212.24
LogP2.1
Atoms16
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic ketones alcohols aromatic compounds benzenoids ketones
CHEBI-ID17682
Supernatural-IDSN0153820

mVOC Specific Details

Boiling Point
DegreeReference
148.2 median
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1,2-diphenylethanone

Compound Details

Synonymous names
Deoxybenzoin
2-Phenylacetophenone
1,2-Diphenylethanone
451-40-1
Benzyl phenyl ketone
Ethanone, 1,2-diphenyl-
DESOXYBENZOIN
1,2-Diphenylethan-1-one
Phenyl benzyl ketone
Acetophenone, 2-phenyl-
Benzoin, deoxy-
1,2-diphenyl-ethanone
benzylphenylketone
MFCD00003081
F17V6C9PZX
DTXSID6044430
NSC-131456
WLN: RV1R
EINECS 207-193-2
UNII-F17V6C9PZX
NSC 131456
BRN 1072876
desoxybenzoine
deoxy benzoin
AI3-10583
BzBn
a-phenylacetophenone
?2-Phenylacetophenone
1, 2-diphenylethanone
1,2 diphenyl ethanone
1,2 diphenyl-ethanone
Enamine_004883
1,2-Diphenyl-1-ethanone
2-Phenylacetophenone, 97%
SCHEMBL24800
4-07-00-01393 (Beilstein Handbook Reference)
F3297-0011
1,2-DI(PHENYL)ETHANONE
CHEMBL3182695
DTXCID4024430
NSC6097
1,2-diphenylethanone;Deoxybenzoin
HMS1407N21
AMY39030
HY-Y1777
NSC-6097
D-(+)-fucose;6-deoxy-D-galactose
Tox21_302159
NSC131456
NSC249236
STL264189
AKOS001050203
CCG-103088
MCULE-1900838211
NSC-249236
NCGC00255911-01
AC-11645
AS-11947
CAS-451-40-1
SY010613
DB-051270
B0435
CS-0019389
EU-0066752
NS00021160
EN300-17086
A826725
AH-034/32462010
SR-01000388911
SR-01000388911-1
W-106163
Q27277503
Z56876371
InChI=1/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H
Microorganism:

Yes

IUPAC name1,2-diphenylethanone
SMILESC1=CC=C(C=C1)CC(=O)C2=CC=CC=C2
InchiInChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
FormulaC14H12O
PubChem ID9948
Molweight196.24
LogP3.2
Atoms15
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds ketones aromatic ketones
Supernatural-IDSN0274787

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes


1-phenylbutan-1-one

Mass-Spectra

Compound Details

Synonymous names
BUTYROPHENONE
1-phenylbutan-1-one
495-40-9
n-Butyrophenone
1-Butanone, 1-phenyl-
Phenyl propyl ketone
1-Phenyl-1-butanone
Propyl phenyl ketone
1-Phenyl-butan-1-one
NSC 8463
NSC-8463
DTXSID3047059
NSC8463
186I11WB5B
MFCD00009397
Butyrophenone, >=99%
Butyrophenone; 1-Phenylbutan-1-one; n-Butyrophenone
UNII-186I11WB5B
propylphenylketone
EINECS 207-799-7
3-methylpropiophenone
Phenyl n-propyl ketone
AI3-02062
SCHEMBL82532
CHEMBL193524
DTXCID1027059
Butyrophenone, analytical standard
NSC8463NSC 8463
Tox21_302345
BBL027757
STL373490
AKOS000120282
CS-W010981
MCULE-1952839528
PS-5615
NCGC00256194-01
CAS-495-40-9
SY011586
AM20040561
B0769
NS00012073
EN300-20322
F81498
A827738
Q421344
J-505070
W-106021
F0001-1286
Z104477742
InChI=1/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H
Microorganism:

Yes

IUPAC name1-phenylbutan-1-one
SMILESCCCC(=O)C1=CC=CC=C1
InchiInChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
FormulaC10H12O
PubChem ID10315
Molweight148.2
LogP2.5
Atoms11
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds aromatic ketones ketones
Supernatural-IDSN0084492

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
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
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
EukaryotaTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno
EukaryotaTuber Melanosporumyes
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


1-(2-aminophenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
2'-Aminoacetophenone
551-93-9
1-(2-Aminophenyl)ethanone
O-AMINOACETOPHENONE
2-Acetylaniline
o-Acetylaniline
o-Aminoacetylbenzene
1-Acetyl-2-aminobenzene
Acetophenone, 2'-amino-
Ethanone, 1-(2-aminophenyl)-
1-(2-Aminophenyl)Ethan-1-One
1-(2-aminophenyl)-ethanone
ortho-aminoacetophenone
2'-Amonioacetophenone
2-acetylphenylamine
NSC 8820
MFCD00007717
o-Aminophenyl methyl ketone
1-(2-amino-phenyl)-ethanone
125507-96-2
DTXSID4052213
NSC-8820
69Y77091BC
Ethanol, 1-(6-imino-2,4-cyclohexadien-1-ylidene)- (9CI)
27941-88-4
2'-Aminoacetophenone, >=98%
Ethanone, 1-(aminophenyl)-
UNII-69Y77091BC
HSDB 5494
6-acetyl-aniline
2'aminoacetophenone
5 kaal
EINECS 209-002-8
o-Amino acetophenone
orthoaminoacetophenone
2`-Aminoacetophenone
1-acetyl-aminobenzene
2'-Amino acetophenone
AI3-04095
1-(Aminophenyl)-Ethanone
1-(2'-aminophenyl)ethanone
2'-Aminoacetophenone, 98%
SCHEMBL309044
2-(methylcarbonyl)benzeneamine
1-(2-Aminophenyl)ethanone #
1-(2-aminophenyl)-1-ethanone
CHEMBL2251601
DTXCID6030784
FEMA NO. 3906
1-(2-aminophenyl)ethane-1-one
CHEBI:91110
FEMA 3906
GTDQGKWDWVUKTI-UHFFFAOYSA-
NSC8820
1-(2-Aminophenyl)ethanone, 9CI
O-AMINOACETOPHENONE [HSDB]
CS-D1191
HY-I0501
STR00923
2'-AMINOACETOPHENONE [FHFI]
Tox21_304027
STL146696
AKOS000120944
MCULE-8977994715
PS-4579
NCGC00357236-01
2'-Aminoacetophenone, analytical standard
AC-25881
BP-21338
CAS-551-93-9
SY001368
DB-014028
DB-275746
A0250
A7989
AM20060473
NS00022361
2 inverted exclamation mark -Aminoacetophenone
EN300-18094
A929275
J-507741
W-105581
Q27163057
ETHANOL, 1-(6-IMINO-2,4-CYCLOHEXADIEN-1-YLIDENE)-
InChI=1/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
VNJ
Microorganism:

Yes

IUPAC name1-(2-aminophenyl)ethanone
SMILESCC(=O)C1=CC=CC=C1N
InchiInChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
FormulaC8H9NO
PubChem ID11086
Molweight135.16
LogP1.6
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds aromatic ketones amines benzenoids nitrogen compounds
CHEBI-ID91110
Supernatural-IDSN0114658

mVOC Specific Details

Boiling Point
DegreeReference
BP 250-252 DEG C @ 760 MM HG (SOME DECOMP)Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Solubility
PRACTICALLY INSOL IN WATER; SOL IN ALC
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Literature: #SOL IN ETHER
Literature: Lide, D.R. (ed). CRC Handbook of Chemistry and Physics. 72nd ed. Boca Raton, FL: CRC Press, 1991-1992., p. 3-22
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaBurkholderia AmbifariaNAGroenhagen et al. 2013
ProkaryotaPseudomonas AeruginosananaBriard et al. 2016
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiTSATD/GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractyes
ProkaryotaPseudomonas Aeruginosaminimal medium/ Brian mediumSPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


1-(2-methylphenyl)ethanone

Compound Details

Synonymous names
2'-METHYLACETOPHENONE
577-16-2
1-(o-Tolyl)ethanone
2-Methylacetophenone
2-Acetyltoluene
1-(2-Methylphenyl)ethanone
o-Methylacetophenone
o-Acetyltoluene
2'-Methylacetylphenone
Ethanone, 1-(2-methylphenyl)-
Methyl o-tolyl ketone
1-(2-methylphenyl)ethan-1-one
Acetophenone, 2'-methyl-
1-o-tolylethanone
methyl 2-methylphenyl ketone
1-(Methylphenyl)ethan-1-one
1-o-Tolyl-ethanone
o-Methyl acetophenone
26444-19-9
ortho-methylacetophenone
2'-methyl-acetophenone
1-(2-Tolyl)ethanone
MFCD00008734
NSC 84233
23O5EV975S
NSC-84233
UNII-23O5EV975S
methyl tolyl ketone
NSC84233
EINECS 209-408-5
EINECS 247-691-7
1-(o-tolyl)-ethanone
2\'-Methylacetophenone
ortho-methylphenylethanone
1-(Methylphenyl)-Ethanone
1-(o-tolyl)ethan-1-one
2?-METHYLACETOPHENONE
1-(2-Methylphenyl)-Ethanone
2'-Methylacetophenone, 98%
SCHEMBL112406
1-(2-Methyl-phenyl)-ethanone
FEMA NO. 4316
2'-Methylacetophenone, >=98%
CHEBI:145958
DTXSID501015360
Acetophenone, 2'-methyl- (8CI)
2-METHYLACETOPHENONE [FHFI]
STR03226
2-METHYLPHENYL METHYL KETONE
AC7820
STL146529
AKOS000120656
CS-W013374
HY-W012658
MCULE-1749200131
Ethanone, 1-(2-methylphenyl)- (9CI)
AC-15885
SY002283
DB-014153
A8219
AM20040758
M0172
NS00042916
EN300-20993
2 inverted exclamation mark -Methylacetophenone
W-105445
2'-Methylacetophenone, Vetec(TM) reagent grade, 98%
Q27253770
F0001-1503
InChI=1/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H
Microorganism:

Yes

IUPAC name1-(2-methylphenyl)ethanone
SMILESCC1=CC=CC=C1C(=O)C
InchiInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
FormulaC9H10O
PubChem ID11340
Molweight134.17
LogP2
Atoms10
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds ketones aromatic ketones
CHEBI-ID534
Supernatural-IDSN0463232

mVOC Specific Details

Boiling Point
DegreeReference
214 median
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno


1-phenylpropane-1,2-dione

Mass-Spectra

Compound Details

Synonymous names
1-PHENYL-1,2-PROPANEDIONE
1-Phenylpropane-1,2-dione
579-07-7
Acetylbenzoyl
Acetyl benzoyl
Benzoylacetyl
1,2-Propanedione, 1-phenyl-
Pyruvophenone
Methylphenylglyoxal
Benzoyl methyl ketone
Phenylmethyldiketone
3-Phenyl-2,3-propanedione
Methyl phenyl diketone
Methyl phenyl glyoxal
Phenyl methyl diketone
1-Phenyl-propane-1,2-dione
FEMA No. 3226
1-phenyl-1,2-propandione
MFCD00008755
ZB5XA3GD0I
CHEBI:63552
NSC-7643
CCRIS 6297
NSC 7643
EINECS 209-435-2
UNII-ZB5XA3GD0I
AI3-23868
phenyl-propane dione
alpha-keto-propiophenone
2-OXOPROPIOPHENONE
Phenyl-1,2-Propanedione
1-PHENYLPROPANEDIONE
1-phenyl-1,2-dioxopropane
SCHEMBL180411
CHEMBL192258
SCHEMBL8670415
DTXSID3060372
BDBM22724
FEMA 3226
NSC7643
1-Phenyl-1,2-propanedione, 99%
1-PHENYL-2-OXOPROPAN-1-ONE
s6009
AKOS003382258
CS-W019544
HY-W018758
MCULE-5571144917
1-Phenyl-1,2-propanedione, 98%, FG
AS-11744
SY036428
1-PHENYL-1,2-PROPANEDIONE [FHFI]
DB-003204
AM20040761
NS00022411
P0210
EN300-98681
C17268
F11432
A831668
W-105429
Q27132685
Z1255485389
InChI=1/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H
Microorganism:

Yes

IUPAC name1-phenylpropane-1,2-dione
SMILESCC(=O)C(=O)C1=CC=CC=C1
InchiInChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
FormulaC9H8O2
PubChem ID11363
Molweight148.16
LogP1.7
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds aromatic ketones ketones
CHEBI-ID63552
Supernatural-IDSN0036726

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphereGroenhagen et al. 2013
ProkaryotaLoktanella Sp.n/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano


1-(3-methylphenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
3'-Methylacetophenone
585-74-0
1-(m-Tolyl)ethanone
3-METHYLACETOPHENONE
m-Methylacetophenone
Ethanone, 1-(3-methylphenyl)-
1-(3-Methylphenyl)ethanone
Acetophenone, m-methyl-
Acetophenone, 3'-methyl-
1-m-tolylethanone
1-m-Tolyl-ethanone
V3KL17Y68N
MFCD00008742
NSC-46632
Methyl m-tolyl ketone
1-[3-methylphenyl]ethanone
3-Acetyltoluene
1-(3-methylphenyl)-Ethanone
1-(3-methylphenyl)ethan-1-one
UNII-V3KL17Y68N
EINECS 209-561-8
NSC 46632
3'-methyl acetophenone
3\'-Methylacetophenone
3 inverted exclamation marka-Methylacetophenone
SCHEMBL76212
3'-Methylacetophenone, 98%
1-(3-Methylphenyl)ethanone #
DTXSID5074717
CHEBI:178621
NSC46632
STL183829
AKOS009031466
AC-3644
CS-W013375
MCULE-9520106797
SY049547
DB-053228
AM20040783
M0191
NS00033963
EN300-20807
3 inverted exclamation mark -Methylacetophenone
A19719
W-105383
Q27291491
F0001-1527
Z104482920
InChI=1/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H
Microorganism:

Yes

IUPAC name1-(3-methylphenyl)ethanone
SMILESCC1=CC(=CC=C1)C(=O)C
InchiInChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
FormulaC9H10O
PubChem ID11455
Molweight134.17
LogP2.3
Atoms10
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds aromatic ketones ketones
CHEBI-ID178621
Supernatural-IDSN0094480

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus Versicolorn/aNAFischer et al. 1999
EukaryotaAspergillus Versicolorcompost Fischer et al. 1999
ProkaryotaStreptomyces Platensisn/aS. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa).Wan et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Versicoloryeast extract sucrose agarn/ano
EukaryotaAspergillus Versicoloryest extract sucroseTenax/GC-MSno
ProkaryotaStreptomyces Platensisautoclaved wheat seedsHeadspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.no


1-(4-ethylphenyl)ethanone

Compound Details

Synonymous names
4'-Ethylacetophenone
937-30-4
1-(4-Ethylphenyl)ethanone
4-ETHYLACETOPHENONE
p-Ethylacetophenone
Ethanone, 1-(4-ethylphenyl)-
Acetophenone, 4'-ethyl-
p-Acetylethylbenzene
p-Ethylphenyl methyl ketone
MFCD00009262
LSA7B53YDO
1-(4-ethylphenyl)ethan-1-one
NSC-6768
1-acetyl-4-ethylbenzene
NSC6768
NSC 6768
EINECS 213-326-5
p-Ethylaceto-phenone
AI3-08507
UNII-LSA7B53YDO
4'-Ethylacetophenone, 97%
SCHEMBL334751
1-(4-Ethylphenyl)ethanone #
DTXSID5061326
CHEBI:195891
BBL027748
STL281972
AKOS000120514
CS-W021233
MCULE-9323914968
AC-10913
AS-14580
SY049093
E0318
NS00012367
4 inverted exclamation mark -Ethylacetophenone
EN300-20966
A844693
W-100228
Q63398062
F0001-2255
Z104485556
Microorganism:

Yes

IUPAC name1-(4-ethylphenyl)ethanone
SMILESCCC1=CC=C(C=C1)C(=O)C
InchiInChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
FormulaC10H12O
PubChem ID13642
Molweight148.2
LogP2.5
Atoms11
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds aromatic ketones ketones
CHEBI-ID195891
Supernatural-IDSN0250818

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno


1-phenylbutan-2-one

Compound Details

Synonymous names
1-Phenylbutan-2-one
1-PHENYL-2-BUTANONE
1007-32-5
Benzyl ethyl ketone
2-Butanone, 1-phenyl-
ethyl benzyl ketone
1-phenyl-butan-2-one
1AKG6904VP
MFCD00009315
NSC-133447
2-Butanone, phenyl-
phenylbutanone
UNII-1AKG6904VP
EINECS 213-752-1
1-(phenyl)-butanone
NSC 133447
SCHEMBL43241
1-Phenyl-2-butanone, 98%
DTXSID60143462
AMY25509
NSC133447
AKOS009031193
MCULE-7523781698
SY013451
CS-0112591
NS00015529
P0971
EN300-21394
Q27252157
InChI=1/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H
Microorganism:

Yes

IUPAC name1-phenylbutan-2-one
SMILESCCC(=O)CC1=CC=CC=C1
InchiInChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
FormulaC10H12O
PubChem ID13879
Molweight148.2
LogP1.9
Atoms11
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic ketones aromatic compounds ketones benzenoids
Supernatural-IDSN0107869

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLitoreibacter Sp.isolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLitoreibacter Sp.marine broth agarOSSA/GC-MSno


1-(1H-pyrrol-2-yl)ethanone

Mass-Spectra

Compound Details

Synonymous names
2-ACETYLPYRROLE
1072-83-9
1-(1H-Pyrrol-2-yl)ethanone
2-acetyl pyrrole
1-(1H-Pyrrol-2-yl)ethan-1-one
2-Pyrrolylethanone
Methyl pyrrol-2-yl ketone
2-Acetyl-1H-pyrrole
Ethanone, 1-(1H-pyrrol-2-yl)-
1-(1h-pyrrol-2-yl)-ethanone
Ketone, methyl pyrrol-2-yl
2-Pyrrolyl methyl ketone
Methyl 2-pyrrolyl ketone
1-(2-Pyrrolyl)-1-ethanone
PYRROLE-B-METHYL KETONE
FEMA No. 3202
1-(1H-pyrrole-2-yl)-ethanone
1-(1H-pyrrol-2-yl)1-ethanone
Pyrrole-alpha-methyl ketone
Pyrrole, 2-acetyl
CHEBI:59981
Methyl 2-pyrryl ketone
1H-Pyrrole, 2-acetyl
MFCD00005220
9K28W7PM6N
DTXSID0047084
NSC-42861
CCRIS 6778
EINECS 214-016-2
NSC 42861
BRN 0001882
UNII-9K28W7PM6N
2-Acetopyrrole
2-acetyl-pyrrole
Pseudoacetylpyrrole
2-Acetyl-1H-indole
Spectrum2_001956
Spectrum3_001993
Pyrryl-alpha-methyl ketone
Epitope ID:136036
BSPBio_003593
SPECTRUM240422
5-21-07-00204 (Beilstein Handbook Reference)
Pyrrole-.alpha.-methyl ketone
SCHEMBL150349
SPBio_002051
2-ACETYLPYRROLE [FCC]
SCHEMBL8153085
CHEMBL1414126
DTXCID8027084
FEMA 3202
KBio3_003031
1-(1H-Pyrrol-2-yl)ethanone #
NSC42861
2-Acetylpyrrole, analytical standard
Ethanone, 1-(1H-pyrrole-2-yl)-
Tox21_300952
BBL010104
CCG-39485
STK801458
1-(1H-Pyrrol-2-yl)ethanone, 9CI
AKOS000120308
AM90575
BS-3734
CS-W013672
HY-W012956
MCULE-8111376055
SB63880
SDCCGMLS-0066967.P001
2-Acetylpyrrole, ReagentPlus(R), 99%
METHYL 2-PYRROLYL KETONE [FHFI]
Methyl 2-pyrrolyl ketone, >=98%, FG
NCGC00095914-01
NCGC00095914-02
NCGC00095914-03
NCGC00254854-01
PD002086
SY011279
CAS-1072-83-9
1-(1H-pyrrol-2-yl)ethanone (acetylpyrrole)
A0894
NS00020922
EN300-17239
F14878
2-Acetylpyrrole, Vetec(TM) reagent grade, 98%
A895652
AI-942/25034253
SR-05000002372
Q-200225
SR-05000002372-1
Q27127005
Z56899162
F8889-9291
InChI=1/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H
2-Acetopyrrole; 2-Pyrrolyl methyl ketone; Ethanone, 1-(1H-pyrrol-2-yl)-; Methyl 2-pyrrolyl ketone
Microorganism:

Yes

IUPAC name1-(1H-pyrrol-2-yl)ethanone
SMILESCC(=O)C1=CC=CN1
InchiInChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
FormulaC6H7NO
PubChem ID14079
Molweight109.13
LogP0.9
Atoms8
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic ketones heterocyclic compounds nitrogen compounds ketones
CHEBI-ID59981
Supernatural-IDSN0144964

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPenicillium RoquefortiNABrock and Dickschat 2013
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Roquefortino
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


1-pyridin-2-ylethanone

Mass-Spectra

Compound Details

Synonymous names
2-ACETYLPYRIDINE
1122-62-9
1-(pyridin-2-yl)ethanone
1-pyridin-2-ylethanone
Methyl 2-pyridyl ketone
Acetylpyridine
Ketone, methyl 2-pyridyl
2-Pyridyl methyl ketone
2-Acetopyridine
1-Pyridin-2-yl-ethanone
Ethanone, 1-(2-pyridinyl)-
1-(2-Pyridinyl)ethanone
Acetyl pyridine
1-(Pyridin-2-Yl)Ethan-1-One
MFCD00006303
FEMA No. 3251
FEMA 3251
1-(2-Pyridyl)-1-ethanone
CHEMBL11945
DTXSID7024409
629O10UI3L
2-acetyl pyridine
NSC-15043
30440-88-1
Ethanone, 1-(pyridinyl)-
DTXCID804409
2-Acetylpyridine (natural)
CAS-1122-62-9
CCRIS 7784
1-(2-PYRIDYL)ETHANONE
EINECS 214-355-6
NSC 15043
UNII-AQQ7807JD8
UNII-629O10UI3L
AI3-52210
2-acetyipyridine
2-acetyl-pyridine
1-Pyridin-2-ylmethanone
1-(pyridine-2-yl)ethanone
SCHEMBL55127
1-(2-Pyridinyl)ethanone #
2-Acetylpyridine, >=99%
MLS002152864
AQQ7807JD8
2-ACETYLPYRIDINE [FHFI]
1-(2-Pyridinyl)ethanone, 9CI
2-Acetylpyridine, >=99%, FG
CHEBI:193619
HMS2268O15
1-(2-PYRIDINYL)-ETHANONE
2-ACETYLPYRIDINE [USP-RS]
NSC15043
Tox21_201499
Tox21_303104
BDBM50026891
STL145899
2-Acetylpyridine, analytical standard
AKOS000119795
AB00686
CS-W008602
MCULE-7714885820
NCGC00091706-01
NCGC00091706-02
NCGC00256952-01
NCGC00259050-01
AS-14447
SMR000112288
DB-015932
A0111
AM20061676
NS00018664
EN300-19607
P19605
A802529
doi:10.14272/AJKVQEKCUACUMD-UHFFFAOYSA-N.1
Q-100067
Q4596853
F0001-0271
Z104474432
InChI=1/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H
2-Acetylpyridine, United States Pharmacopeia (USP) Reference Standard
Microorganism:

Yes

IUPAC name1-pyridin-2-ylethanone
SMILESCC(=O)C1=CC=CC=N1
InchiInChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
FormulaC7H7NO
PubChem ID14286
Molweight121.14
LogP0.9
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic ketones heterocyclic compounds nitrogen compounds pyridines aromatic compounds ketones
CHEBI-ID193619
Supernatural-IDSN0007210

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEnterobacter Agglomeransn/aNASchulz and Dickschat 2007
EukaryotaPleurotus EryngiinanaUsami et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEnterobacter Agglomeransn/an/ano
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno


1-(furan-2-yl)ethanone

Mass-Spectra

Compound Details

Synonymous names
2-Acetylfuran
1192-62-7
1-(furan-2-yl)ethanone
Acetylfuran
2-Furyl methyl ketone
2-Acetyl furan
Methyl 2-furyl ketone
1-(2-Furyl)ethanone
Ethanone, 1-(2-furanyl)-
2-Furylethanone
Ketone, 2-furyl methyl
1-Furan-2-yl-ethanone
1-(2-FURANYL)ETHANONE
Furyl methyl ketone
1-(Furan-2-yl)ethan-1-one
Furan, 2-acetyl-
2-acetylfurane
(2-furanyl)-1-ethanone
FEMA No. 3163
1-(2-Furanyl)-ethanone
2-acetyl-furan
Q5ZRP80K02
CHEBI:59983
NSC-4665
MFCD00003242
NSC-49133
80145-44-4
acetyl furan
Ethanone, 1-(furanyl)-
CCRIS 3161
2-Furyl methyl ketone (natural)
NSC 4665
EINECS 214-757-1
NSC 49133
BRN 0107909
UNII-Q5ZRP80K02
AI3-23586
2-Acetofurone
a-Furyl methyl ketone
methyl-2-furyl ketone
1-(2-Furyl)ethanone #
Epitope ID:136039
1-(furan-2-yl)-ethanone
SCHEMBL43960
5-17-09-00381 (Beilstein Handbook Reference)
2-ACETYLFURAN [FHFI]
2-Furyl methyl ketone, 99%
1-(2-Furanyl)ethanone, 9CI
DTXSID0051601
FEMA 3163
NSC4665
NSC49133
STR05504
1-(2-furyl)ethanone;2-Acetylfuran
2-FURYL METHYL KETONE [FCC]
STK400329
1-(2-furanyl)ethanone (acetylfuran)
2-Acetylfuran; 1-(2-Furyl)ethanone
AKOS000119584
2-Furyl methyl ketone, >=99%, FG
AM91073
CS-W016628
HY-W015912
MCULE-6389695813
PS-4586
SB60920
2-Acetyl furan; 2-Furyl methyl ketone
1-(2-Furanyl)-ethanone (2-acetylfuran)
AC-11853
PD158331
2-Furyl methyl ketone, analytical standard
DB-003253
A0091
NS00012490
EN300-20230
2-Furyl methyl ketone, purum, >=99.0% (GC)
A804234
2-Furyl methyl ketone, natural (US), >=97%, FG
Q-100089
Q15634156
F0001-0316
2-Aminomethyl-azetidine-1-carboxylic acid tert-butylester
InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H
Microorganism:

Yes

IUPAC name1-(furan-2-yl)ethanone
SMILESCC(=O)C1=CC=CO1
InchiInChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
FormulaC6H6O2
PubChem ID14505
Molweight110.11
LogP0.5
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds aromatic ketones ethers furan derivatives heterocyclic compounds
CHEBI-ID59983
Supernatural-IDSN0143479

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaGoffeauzyma Gilvescensinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
ProkaryotaMyxobacterium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Citreusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaOctadecabacter Sp.n/aNADickschat et al. 2005_3
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al. 2013
EukaryotaFusarium VerticillioidesNADickschat et al. 2011
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Chlororaphisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fluorescensnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Jesseniinaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas FluorescensNACheng et al. 2016
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaGoffeauzyma Gilvescensartificial nectar mediaGC-MSno
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaStreptomyces Citreusn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaOctadecabacter Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano
EukaryotaFusarium Verticillioidesno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensKings B + rif,+kann; PDA GC-Q-TOF-MSno
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid 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
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
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


1-(5-methylfuran-2-yl)ethanone

Mass-Spectra

Compound Details

Synonymous names
2-ACETYL-5-METHYLFURAN
1193-79-9
1-(5-methylfuran-2-yl)ethanone
5-Methyl-2-acetylfuran
1-(5-Methyl-2-furyl)ethanone
Ethanone, 1-(5-methyl-2-furanyl)-
5-Methyl-2-furylmethylketone
1-(5-Methyl-2-furyl)ethan-1-one
1-(5-Methyl-2-furanyl)ethanone
2-Methyl-5-acetylfuran
Methyl 5-methyl-2-furyl ketone
Furan, 2-acetyl-5-methyl-
5-Acetyl-2-methylfuran
2-Acetyl-5-methyl-furan
Ketone, methyl 5-methyl-2-furyl
FEMA No. 3609
CHEBI:562752
MFCD00003243
IY49408H2O
1-(5-methyl-furan-2-yl)-ethanone
NSC-80404
1-(5-methylfuran-2-yl)ethan-1-one
5-Methyl-2-acetyl furan
2-acetyl-5-methyl furan
EINECS 214-779-1
NSC 80404
BRN 0110853
UNII-IY49408H2O
NSC80404
2-Acetyl, 5-mefuran
2-Acetyl 5-methylfuran
2-acetyl 5-methyl furan
Epitope ID:136040
5-17-09-00424 (Beilstein Handbook Reference)
SCHEMBL183532
CHEMBL455506
2-Acetyl-5-methylfuran, 98%
FEMA 3069
DTXSID70152409
1-(5-Methyl-2-furyl)ethanone #
1-(5-Methyl-2-furanyl)-Ethanone
BBL027428
GEO-00034
STK502523
AKOS000119488
CS-W013529
MCULE-9973272981
SB60892
1-(5-Methyl-2-furanyl)ethanone, 9CI
2-ACETYL-5-METHYLFURAN [FHFI]
2-Acetyl-5-methylfuran, >=98%, FG
(2-NAPHTHOXY)ACETICACIDMETHYLESTER
AC-23593
DS-17000
Methyl (5-methyl-2-furyl) ketone, 8CI
SY013987
DB-003537
2-Acetyl-5-methylfuran, analytical standard
A0983
NS00020938
EN300-18886
A804269
Q-100091
Q18347448
Z94598638
F0001-0319
2-Acetyl-5-methyl furan; 1-(5-Methyl-2-furyl)ethan-1-one
InChI=1/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H
Microorganism:

No

IUPAC name1-(5-methylfuran-2-yl)ethanone
SMILESCC1=CC=C(O1)C(=O)C
InchiInChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
FormulaC7H8O2
PubChem ID14514
Molweight124.14
LogP1.4
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds aromatic ketones ethers furan derivatives heterocyclic compounds
CHEBI-ID562752
Supernatural-IDSN0183249

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPenicillium Brevicompactumcompost Fischer et al. 1999
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno


1-(2-hydroxy-5-methylphenyl)ethanone

Compound Details

Synonymous names
1450-72-2
2'-Hydroxy-5'-methylacetophenone
1-(2-Hydroxy-5-methylphenyl)ethanone
2-Hydroxy-5-methylacetophenone
Ethanone, 1-(2-hydroxy-5-methylphenyl)-
o-Acetyl-p-cresol
2-ACETYL-4-METHYLPHENOL
1-(2-Hydroxy-5-Methylphenyl)Ethan-1-One
1-Hydroxy-2-acetyl-4-methylbenzene
1-(2-Hydroxy-5-methyl-phenyl)-ethanone
MFCD00002380
Acetophenone, 2'-hydroxy-5'-methyl-
11661U1ZEN
NSC-26458
NSC-63363
UNII-11661U1ZEN
2-Hydroxy-5-methyl acetophenone
NSC63363
2-Acetyl-p-cresol
EINECS 215-915-2
NCIOpen2_000252
SCHEMBL471440
CHEMBL4444601
DTXSID9061702
FEMA NO. 4594
Methyl 6-hydroxy-m-tolyl ketone
CHEBI:179659
2'-hydroxy-5'-methyl-acetophenone
NSC26458
NSC 26458
NSC 63363
STK727255
AKOS000266093
HY-W100681
MCULE-5089038494
SDCCGMLS-0065880.P001
1-(2-Hydroxy-5-methylphenyl)-Ethanone
2'-Hydroxy-5'-methylacetophenone, 98%
1-(2-Hydroxy-5-methylphenyl)ethanone #
5'-METHYL-2'-HYDROXYACETOPHENONE
BP-12459
PD171706
SY048474
DB-011374
1-(2-Hydroxy-5-methylphenyl)ethanone, 9CI
CS-0153323
H0790
NS00021663
EN300-18588
5D-073
1-(2-HYDROXY-5-METHYLPHENYL)-1-ETHANONE
J-008048
Q27251292
Z85923114
2 inverted exclamation mark -Hydroxy-5 inverted exclamation mark -methylacetophenone
InChI=1/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H
Microorganism:

Yes

IUPAC name1-(2-hydroxy-5-methylphenyl)ethanone
SMILESCC1=CC(=C(C=C1)O)C(=O)C
InchiInChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3
FormulaC9H10O2
PubChem ID15068
Molweight150.17
LogP2.3
Atoms11
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds aromatic ketones phenols
CHEBI-ID179659
Supernatural-IDSN0455322

mVOC Specific Details

Boiling Point
DegreeReference
210 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus TequilensisLB mediaHS-SPME/GC-MSno


1-thiophen-3-ylethanone

Compound Details

Synonymous names
3-ACETYLTHIOPHENE
1468-83-3
Ethanone, 1-(3-thienyl)-
1-(thiophen-3-yl)ethan-1-one
Methyl 3-thienyl ketone
1-(thiophen-3-yl)ethanone
1-thiophen-3-ylethanone
1-(3-Thienyl)ethanone
3-acetyl-thiophene
Ketone, methyl 3-thienyl
1-thien-3-ylethanone
XB5SQX2RBW
MFCD00005468
3-Acetyl thiophene
Methyl-3-thienyl ketone
3-Acetothienone
3-Acetylthiopene
EINECS 215-996-4
UNII-XB5SQX2RBW
3-Acetylthiophene, 98%
1-(3-Thienyl)-Ethanone
1-thiophen-3-yl-ethanone
1-(3-Thienyl)ethanone #
SCHEMBL10425
1-(3-thienyl)-1-ethanone
BIDD:GT0041
1-(3-Thienyl)ethanone, 9CI
3-THIENYL METHYL KETONE
RNIDWJDZNNVFDY-UHFFFAOYSA-
DTXSID10163498
CHEBI:179840
GEO-00043
STK503657
AKOS005171624
AC-4928
AM84424
CS-W007361
HY-W007361
MCULE-3092440506
PB17033
PS-5487
SY009376
DB-022174
A1006
NS00024811
EN300-60615
A904927
AI-942/40192066
Q-200397
W-108121
F0001-0524
Z513734012
InChI=1/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
Microorganism:

Yes

IUPAC name1-thiophen-3-ylethanone
SMILESCC(=O)C1=CSC=C1
InchiInChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
FormulaC6H6OS
PubChem ID15116
Molweight126.18
LogP1.2
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic ketones thioethers heterocyclic compounds aromatic compounds ketones
CHEBI-ID179840
Supernatural-IDSN0330087

mVOC Specific Details

Boiling Point
DegreeReference
210 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno