Results for:
chemical Classification: furan derivatives

Dibenzofuran

Compound Details

Synonymous names
dibenzofuran
Dibenzo[b,d]furan
132-64-9
diphenylene oxide
Dibenzofurans
2,2'-Biphenylene oxide
2,2'-Biphenylylene oxide
Dibenzo(b,d)furan
dibenzofurane
(1,1'-Biphenyl)-2,2'-diyl oxide
[1,1'-Biphenyl]-2,2'-diyl oxide
DTXSID2021993
CHEBI:28145
8U54U639VI
NSC-1245
Dibenzol(b,d)furan
DTXCID801993
CAS-132-64-9
CCRIS 1436
HSDB 2163
NSC 1245
EINECS 205-071-3
UNII-8U54U639VI
AI3-00039
dibenzo[bd]furan
Dibenzofuran, 98%
[1,2'-diyl oxide
DIBENZOFURAN [MI]
bmse000548
DIBENZOFURAN [HSDB]
SCHEMBL8207
CHEMBL277497
Dibenzofuran, analytical standard
NSC1245
DIBENZO (b,d) FURAN (purity)
Tox21_202116
Tox21_300052
BDBM50408362
MFCD00004968
STL185574
AKOS000120971
CS-W017802
HY-W017086
MCULE-9430669072
PS-5378
NCGC00164102-01
NCGC00164102-02
NCGC00164102-03
NCGC00254221-01
NCGC00259665-01
AC-19766
Dibenzofuran D8 10 mug/mL in Cyclohexane
DB-042123
D0147
NS00010742
EN300-18022
C07729
Q419513
Q-101160
Z57127512
Dibenzo[b,d]furan, BCR(R) certified Reference Material
8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8
1IT
Microorganism:

Yes

IUPAC namedibenzofuran
SMILESC1=CC=C2C(=C1)C3=CC=CC=C3O2
InchiInChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
FormulaC12H8O
PubChem ID568
Molweight168.19
LogP4.1
Atoms13
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids heterocyclic compounds benzofuran derivatives aromatic compounds ethers
CHEBI-ID28145
Supernatural-IDSN0362403

mVOC Specific Details

Boiling Point
DegreeReference
287 °C peer reviewed
Volatilization
The Henry's Law constant for dibenzofuran is estimated as 2.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00248 mm Hg(1), and water solubility, 3.1 mg/l(2). This Henry's Law constant indicates that dibenzofuran 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 7 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 82 days if adsorption is considered(4). Dibenzofuran's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from moist soil surfaces is expected to be attenuated by adsorption to soil(SRC). Dibenzofuran is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
The Koc of dibenzofuran is estimated as 4,200(SRC), using a log Kow of 4.12(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dibenzofuran is expected to have slight mobility in soil(SRC). Monitoring of dibenzofuran in contaminated groundwater beneath an abandoned creosote facility in Conroe, TX has suggested that leaching of dibenzofuran may be much more important than predicted from estimation methods, although soil from this location had a very low organic content and other co-contaminants present(4). Sorption of creosote compounds (including dibenzofuran) were measured on natural clayey till soil column(5); a Kd of 4.31 l/kg was measured for dibenzofuran (in the presence of other creosote compounds)(5).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADixon et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno


Furan-2-carbaldehyde

Mass-Spectra

Compound Details

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

Yes

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

mVOC Specific Details

Boiling Point
DegreeReference
161.7 °C peer reviewed
Volatilization
The Henry's Law constant for furfural is estimated as 3.8X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2.21 mm Hg(1), and water solubility, 7.41X10+4 mg/L(2). This Henry's Law constant indicates that furfural is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 9.6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 73 days(SRC). Furfural's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of furfural from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 140 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of furfural is estimated as 40(SRC), using a log Kow of 0.41(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that furfural is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 11 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.21 mm Hg at 25 deg C (est)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

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


Furan-2-ylmethanethiol

Compound Details

Synonymous names
Furfuryl mercaptan
98-02-2
2-FURANMETHANETHIOL
2-Furylmethanethiol
furan-2-yl-methanethiol
Furfuryl thiol
furan-2-ylmethanethiol
2-Furylmethyl mercaptan
2-Furfurylmercaptan
Furfurylmercaptan
2-Furfurylthiol
2-(Mercaptomethyl)furan
175236-33-6
(2-Furanyl)methylmercaptan
USAF B-58
FEMA No. 2493
2-furanmethanthiol
2-mercaptomethylfuran
29W096TCPG
DTXSID7052654
NSC 41142-d2
MFCD00003254
NSC-41142
Furfuryl mercaptan (natural)
alpha-Furfuryl mercaptan
EINECS 202-628-2
NSC 41142
BRN 0383594
UNII-29W096TCPG
furylmethanethiol
AI3-36709
fufuryl mercaptan
furfuryl-mercaptan
2-furanylmethanethiol
2-Furfuryl mercaptan
2-furylmethylmercaptan
furanylmethyl mercaptan
uran-2-ylmethanethiol
starbld0016618
(furan-2-yl)methanethiol
.alpha.-Furfuryl mercaptan
WLN: T5OJ B1SH
2-Furanmethanethiol, 98%
5-17-03-00351 (Beilstein Handbook Reference)
SCHEMBL125084
CHEMBL3560314
DTXCID4031227
FURFURYL MERCAPTAN [FCC]
FEMA 2493
FURFURYL MERCAPTAN [FHFI]
CHEBI:166536
Furfuryl mercaptan, >=97%, FG
NSC41142
Tox21_303886
STK802294
AKOS000119240
2-Furanmethanethiol, analytical standard
CAS-98-02-2
Furfuryl mercaptan, natural, 98%, FG
NCGC00357144-01
LS-13041
DB-003671
F0077
NS00012489
EN300-19031
E78916
A845789
J-640072
Q-100003
Q5509474
F0001-2311
InChI=1/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H
19980-20-2
Microorganism:

Yes

IUPAC namefuran-2-ylmethanethiol
SMILESC1=COC(=C1)CS
InchiInChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
FormulaC5H6OS
PubChem ID7363
Molweight114.17
LogP1.3
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationthiols sulfur compounds furan derivatives ethers aromatic compounds
CHEBI-ID166536
Supernatural-IDSN0468798

mVOC Specific Details

Boiling Point
DegreeReference
263 median
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Lactobacillus PlantarumZhang et al. 2023
Staphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Lactobacillus PlantarumHabanero pepperGC–IMSno
Staphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


2-methylfuran

Mass-Spectra

Compound Details

Synonymous names
2-METHYLFURAN
534-22-5
Silvan
Methylfuran
Sylvan
2-Methyl furan
5-Methylfuran
Furan, 2-methyl-
alpha-Methylfuran
Furan, methyl-
.alpha.-Methylfuran
Methyl furan
2-METHYL-FURAN
51O3BGW3F2
27137-41-3
DTXSID9025611
CHEBI:88912
NSC-3707
2-Methylfuran-d3
Silvan [Czech]
WLN: T5OJ B1
25301-08-0
CCRIS 2920
NSC 3707
EINECS 208-594-5
UN2301
BRN 0103733
UNII-51O3BGW3F2
2methylfuran
2-methylfurane
AI3-24245
alpha -Methylfuran
EINECS 248-253-8
Methylfuran (DOT)
MFCD00003248
2-Methylfuran, 99%, FG
5-17-01-00322 (Beilstein Handbook Reference)
2-METHYLFURAN [FHFI]
DTXCID405611
CHEMBL1445555
FEMA NO. 4179
NSC3707
NSC5211
2-Methylfuran (ACD/Name 4.0)
2-Methylfuran, analytical standard
AMY11051
NSC-5211
Tox21_200203
STL264121
AKOS000120176
MCULE-3620289319
UN 2301
NCGC00091686-01
NCGC00091686-02
NCGC00257757-01
CAS-534-22-5
DB-015962
M0226
NS00021195
2-Methylfuran 100 microg/mL in Acetonitrile
2-Methylfuran, >=98%, stabilized with BHT
EN300-19054
2-Methylfuran [UN2301] [Flammable liquid]
A829577
Q209438
J-510050
F0001-1386
InChI=1/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H
Z104472456
2-Methylfuran, contains 200-400 BHT as stabilizer, 99%
Microorganism:

Yes

IUPAC name2-methylfuran
SMILESCC1=CC=CO1
InchiInChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
FormulaC5H6O
PubChem ID10797
Molweight82.1
LogP1.8
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds furan derivatives
CHEBI-ID88912
Supernatural-IDSN0397294

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
EukaryotaAspergillus Versicolorwild strainsSchleibinger et al. 2005
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaBacillus PumilusNAMülner et al. 2020
ProkaryotaThermoactinomyces Sp.n/aNASchulz and Dickschat 2007
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaBurkholderia Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaPaenibacillus Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
EukaryotaTrichoderma Sp.NANemcovic et al. 2008
ProkaryotaThermoactinomyces VulgarisnasoilWilkins 1996
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaStreptomyces Sp.NAJones et al. 2017
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaAspergillus Versicoloringrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
ProkaryotaThermoactinomyces Sp.n/an/ano
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaBurkholderia Sp.TSBAGC-Q-TOFno
ProkaryotaPaenibacillus Sp.TSBAGC-Q-TOFno
EukaryotaTrichoderma Sp.no
ProkaryotaThermoactinomyces VulgarisNutrient agar CM3GC/MSno
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno
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


Methyl Furan-2-carboxylate

Mass-Spectra

Compound Details

Synonymous names
Methyl 2-furoate
611-13-2
Methyl furan-2-carboxylate
Methyl pyromucate
Methyl 2-furancarboxylate
METHYL FUROATE
2-Furancarboxylic acid, methyl ester
METHYL-2-FUROATE
2-(Methoxycarbonyl)furan
2-FUROIC ACID, METHYL ESTER
Pyromucic acid methyl ester
Methyl 2-furylcarboxylate
2-Furancarboxylic Acid Methyl Ester
Furoic acid, methyl ester
FEMA No. 2703
Furancarboxylic acid, methyl ester
2-Furoic acid methyl ester
NSC 35551
MFCD00003236
O9A8D29YDE
furan-2-carboxylic acid methyl ester
NSC-35551
methyl2-furoate,
CCRIS 2158
EINECS 210-254-6
UNII-O9A8D29YDE
BRN 0111110
AI3-23585
2-methyl furate
Methyl alpha-furoate
Methyl 2-furoate ,
METHYL2-FUROATE
Methyl .alpha.-furoate
Furoic acid methyl ester
Methylfuran-2-carboxylate
methyl uran-2-carboxylate
Methyl 2-furoate, 98%
WLN: T5OJ BVO1
METHYL FUROATE [FCC]
5-18-06-00103 (Beilstein Handbook Reference)
METHYL FUROATE [FHFI]
SCHEMBL363937
METHYL 2-FUROATE [MI]
DTXSID7060598
FEMA 2703
CHEBI:167081
Methyl 2-furoate, >=98%, FG
HY-Y0949
NSC35551
2-furan carboxylic acid methyl ester
s5636
STK397389
AKOS000120062
CCG-266097
CS-W020101
MCULE-5445948487
Methyl 2-furoate, natural, 99%, FG
Furan-alpha-carboxylic acid methyl ester
AS-14803
Furan-.alpha.-carboxylic acid methyl ester
DB-003714
AM20100488
F0075
NS00012896
EN300-15493
D78223
Q-100703
Q22083556
Z19719727
F0001-1604
Microorganism:

Yes

IUPAC namemethyl furan-2-carboxylate
SMILESCOC(=O)C1=CC=CO1
InchiInChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
FormulaC6H6O3
PubChem ID11902
Molweight126.11
LogP1
Atoms9
Bonds2
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic compounds esters ethers furan derivatives heterocyclic compounds
CHEBI-ID167081
Supernatural-IDSN0122567

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANANawrath et al. 2012
ProkaryotaLoktanella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaTrichoderma Viriden/aNAMueller et al. 2013
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Lentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H11GC-MSno
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaNannocystis Exedensn/an/ano
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno


Furan-2-ylmethyl Acetate

Compound Details

Synonymous names
Furfuryl acetate
623-17-6
furan-2-ylmethyl acetate
2-Furanmethanol, acetate
FURFURAL ACETATE
Furfuryl alcohol, acetate
Acetic acid furfuryl ester
2-Furanmethanol acetate
2-Acetoxymethylfuran
2-Furfuryl acetate
Acetic acid furfurylester
2-Furanmethyl acetate
2-Furylmethyl acetate
2-Furanmethanol, 2-acetate
2-Furylcarbinyl acetate
FEMA No. 2490
2-Furfuryl-acetate
3CJC9ALG3X
(furan-2-yl)methyl acetate
DTXSID7025346
NSC-5585
DTXCID705346
Furfurylacetate
CAS-623-17-6
CCRIS 6242
NSC 5585
EINECS 210-775-9
UNII-3CJC9ALG3X
BRN 0116128
AI3-11016
Furfuryl ethanoate
Furfuryl-ethanoate
uran-2-ylmethyl acetate
Furfuryl acetate, 97%
Furfuryl acetate, 99%
2-Furylmethyl acetate #
5-17-03-00344 (Beilstein Handbook Reference)
SCHEMBL190434
FURFURAL ACETATE [FHFI]
CHEMBL1522321
FEMA 2490
Furfuryl acetate, >=98%, FG
NSC5585
CHEBI:191539
Tox21_201590
Tox21_303142
MFCD00003251
s5831
AKOS005206950
CS-W011037
HY-W010321
MCULE-8997160416
SB60888
Furfuryl acetate, natural, >=98%, FG
NCGC00091809-01
NCGC00091809-02
NCGC00257222-01
NCGC00259139-01
TS-01820
A0903
NS00022532
2-furylmethyl acetate;Furan-2-ylmethyl acetate
EN300-254213
F14839
Furfuryl acetate, analytical reference material
A833715
Q11644408
6-(4-Methoxyphenyl)-5,6-dihydroimidazo[2,1-b]thiazole
Z204447878
InChI=1/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H
Microorganism:

Yes

IUPAC namefuran-2-ylmethyl acetate
SMILESCC(=O)OCC1=CC=CO1
InchiInChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
FormulaC7H8O3
PubChem ID12170
Molweight140.14
LogP0.7
Atoms10
Bonds3
H-bond Acceptor3
H-bond Donor0
Chemical Classificationesters furan derivatives heterocyclic compounds aromatic compounds ethers
CHEBI-ID191539
Supernatural-IDSN0048295

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


3-methylfuran

Mass-Spectra

Compound Details

Synonymous names
3-METHYLFURAN
930-27-8
Furan, 3-methyl-
3-methylfurane
3-Methylfuran-methyl-D3
MFCD00060134
5R72A0440N
NSC-346905
3-Methylfuran 100 microg/mL in Methanol
NSC 346905
BRN 0104217
4-methylfuran
UNII-5R72A0440N
3-methyl-furan
3-methylfuran (stabilized with hq)
3-Methylfuran, AldrichCPR
5-17-01-00330 (Beilstein Handbook Reference)
DTXSID10239228
CHEBI:172946
BBL103814
GEO-01834
NSC346905
STL557624
>98.0%(GC) (stabilized with HQ)
AKOS005255084
GS-0656
DB-016017
3-Methylfuran (stabilised with Hydroquinone)
M0939
NS00039517
EN300-88698
W18310
A844425
Q21099678
InChI=1/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H
Microorganism:

Yes

IUPAC name3-methylfuran
SMILESCC1=COC=C1
InchiInChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
FormulaC5H6O
PubChem ID13587
Molweight82.1
LogP1.4
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds furan derivatives
CHEBI-ID172946
Supernatural-IDSN0187458

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus Versicolorwild strainsSchleibinger et al. 2005
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
EukaryotaAspergillus FlavusNASchnürer et al. 1999
EukaryotaPenicillium BrevicompactumNASchnürer et al. 1999
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
EukaryotaPenicillium Aurantiogriseumn/aNABörjesson et al. 1990
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaCladosporium Cladosporioidesnaindoor, outdoor, on a wide range of materialsSunesson et al. 1995
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Versicoloringrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaAspergillus Flavusmalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
EukaryotaPenicillium Brevicompactummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaStreptomyces Sp.n/an/ano
EukaryotaPenicillium Aurantiogriseumn/an/ano
EukaryotaAspergillus VersicolorDG18GC/MSno
EukaryotaPenicillium CommuneDG18GC/MSno
EukaryotaCladosporium CladosporioidesDG18GC/MSno
EukaryotaPaecilomyces VariotiiDG18,MEAGC/MSno


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


2-ethylfuran

Mass-Spectra

Compound Details

Synonymous names
2-Ethylfuran
3208-16-0
Furan, 2-ethyl-
alpha-Ethylfuran
2-Ethyloxole
2-ETHYL FURAN
FEMA No. 3673
2-ethyl-furan
2-Ethyl furane
Furan, .alpha.-ethyl-
T8O6J71T9O
FEMA 3673
MFCD00003259
CCRIS 4387
2-Ethylfuran; ?-Ethylfuran; Furan, 2-ethyl-
EINECS 221-714-0
UNII-T8O6J71T9O
alpha-Ethyl-Furan
2-Ethylfuran, 97%
.ALPHA.-ETHYLFURAN
2-Ethylfuran, >=99%
2-ETHYLFURAN [FHFI]
CHEMBL2269084
DTXSID7062906
2-Ethylfuran, analytical standard
CHEBI:141565
GEO-01350
AKOS005254497
CS-W013731
MCULE-6819919667
SB60988
2-Ethylfuran 100 microg/mL in Acetonitrile
E0454
NS00022047
EN300-51262
S10154
A821123
W-106860
Q17989420
Z640169748
InChI=1/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H
Microorganism:

Yes

IUPAC name2-ethylfuran
SMILESCCC1=CC=CO1
InchiInChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
FormulaC6H8O
PubChem ID18554
Molweight96.13
LogP2.4
Atoms7
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds furan derivatives
CHEBI-ID141565
Supernatural-IDSN0129007

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Crustosumyest extract sucroseTenax/GC-MSno
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
Lactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno


Furan-2-carbohydrazide

Compound Details

Synonymous names
furan-2-carbohydrazide
3326-71-4
2-Furoic acid hydrazide
2-Furoic hydrazide
2-Furohydrazide
Furoylhydrazide
2-Furoylhydrazine
2-Furancarbohydrazide
2-Furoylhydrazide
2-Furancarboxylic acid, hydrazide
Furoic acid, hydrazide
2-Furylcarbonylhydrazide
2-furancarboxylic acid hydrazide
2-Furancarbohydrazonic acid
2-FUROIC ACID, HYDRAZIDE
Pyromucic acid hydrazide
2-Furancarbonyl hydrazide
2-Furylcarboxylic acid hydrazide
MFCD00003235
Furan-2-carboxylic acid hydrazide
NSC 11957
NSC 35574
WLN: T5OJ BVMZ
NSC11957
NSC35574
Furancarboxylic acid, hydrazide
2-Furoicacidhydrazide
EINECS 222-046-2
BRN 0114435
AI3-62534
2-furanhydrazide
2-Furoichydrazide
2-furanoic hydrazide
furan 2-carbohydrazide
2-Furoic hydrazide, 98%
5-18-06-00125 (Beilstein Handbook Reference)
SCHEMBL140989
CHEMBL340492
DTXSID10186900
HMS1775C18
CS-M1764
NSC-11957
NSC-35574
STK121925
AKOS000194881
AM10044
MCULE-6130017029
AS-57679
SY048471
DB-048376
DB-293084
F1015
NS00029450
2-Furoic hydrazide, purum, >=97.0% (NT)
EN300-17784
F10405
A821702
AN-068/40170015
J-019120
J-521392
Z57036326
F3145-4915
InChI=1/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8
Microorganism:

Yes

IUPAC namefuran-2-carbohydrazide
SMILESC1=COC(=C1)C(=O)NN
InchiInChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
FormulaC5H6N2O2
PubChem ID18731
Molweight126.11
LogP-0.5
Atoms9
Bonds1
H-bond Acceptor3
H-bond Donor2
Chemical Classificationhydrazines ethers furan derivatives heterocyclic compounds nitrogen compounds
Supernatural-IDSN0348234

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMetschnikowia HawaiiensisNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMetschnikowia Hawaiiensisliquid YPD mediumGC-MSno


1-(3-hydroxyfuran-2-yl)ethanone

Compound Details

Synonymous names
ISOMALTOL
3420-59-5
1-(3-hydroxyfuran-2-yl)ethanone
Ethanone, 1-(3-hydroxy-2-furanyl)-
2-acetyl-3-hydroxyfuran
1-(3-Hydroxy-2-furyl)ethanone
Ketone, 3-hydroxy-2-furyl methyl
76NST80C38
UNII-76NST80C38
3-hydroxy-2-furyl methyl ketone
ISOMALTOL [MI]
SCHEMBL27812
88511-92-6
DTXSID10187790
3-hydroxyfuran-2-yl methyl ketone
DTXSID301282527
1-(3-Hydroxy-2-furyl)ethanone #
AKOS025296178
2-(1-Hydroxyethylidene)-3(2H)-furanone
F95114
Q2574472
Microorganism:

Yes

IUPAC name1-(3-hydroxyfuran-2-yl)ethanone
SMILESCC(=O)C1=C(C=CO1)O
InchiInChI=1S/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3
FormulaC6H6O3
PubChem ID18898
Molweight126.11
LogP1.2
Atoms9
Bonds1
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds furan derivatives ketones heterocyclic compounds aromatic ketones ethers
Supernatural-IDSN0131825

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno


2,4-dimethylfuran

Mass-Spectra

Compound Details

Synonymous names
2,4-DIMETHYLFURAN
3710-43-8
Furan, 2,4-dimethyl-
2,4-dimethyl-furan
3,5-dimethylfuran
WWC3WDX33J
2,4-Dimethylfuran #
UNII-WWC3WDX33J
CHEBI:89526
DTXSID50190602
MFCD00511327
AKOS015905551
DB-355241
EN300-325734
F87949
Q27161722
Microorganism:

Yes

IUPAC name2,4-dimethylfuran
SMILESCC1=CC(=CO1)C
InchiInChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
FormulaC6H8O
PubChem ID19462
Molweight96.13
LogP1.8
Atoms7
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds furan derivatives
CHEBI-ID89526
Supernatural-IDSN0000062

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
EukaryotaCandida AlbicansSDATD/GC-MSno
EukaryotaCandida TropicalisSDATD/GC-MSno
EukaryotaCandida KruseiSDATD/GC-MSno
EukaryotaCandida GlabrataSDATD/GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSno
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSno
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
EukaryotaFusarium Sp.no
EukaryotaPaecilomyces VariotiiMEAGC/MSno
EukaryotaFusarium Culmorumpotato dextrose agarGC/MS-Q-TOFno


2-pentylfuran

Mass-Spectra

Compound Details

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

Yes

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

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


2-heptylfuran

Mass-Spectra

Compound Details

Synonymous names
2-HEPTYLFURAN
2-n-Heptylfuran
3777-71-7
Furan, 2-heptyl-
FEMA No. 3401
7W55A39QXM
Furan, heptyl-
CCRIS 6901
UNII-7W55A39QXM
2-heptyluran
EINECS 223-236-8
HEPTYLFURAN, 2-N-
2-HEPTYLFURAN [FHFI]
SCHEMBL1868812
DTXSID2063187
FEMA 3401
CHEBI:167091
MFCD00051820
AKOS005266535
MCULE-4055197722
PS-11660
DB-021419
NS00012524
A823864
Q27268935
Microorganism:

No

IUPAC name2-heptylfuran
SMILESCCCCCCCC1=CC=CO1
InchiInChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
FormulaC11H18O
PubChem ID19603
Molweight166.26
LogP4.7
Atoms12
Bonds6
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds furan derivatives
CHEBI-ID167091
Supernatural-IDSN0025871

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTrichoderma Asperellumreduce downy mildew severity on Vitis vinifera (grapevine plants)Cotxarrera et al., 2002Lazazzara et al. 2021
EukaryotaTrichoderma Atroviridereduce downy mildew severity on Vitis vinifera (grapevine plants)Pertot et al., 2008Lazazzara et al. 2021
EukaryotaTrichoderma Harzianumreduce downy mildew severity on Vitis vinifera (grapevine plants)Eladet al., 1997Lazazzara et al. 2021
EukaryotaTrichoderma Viriden/aNAHung et al. 2013
EukaryotaTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaTrichoderma AtrovirideNAStoppacher et al. 2010
EukaryotaTrichoderma VirensNACrutcher et al. 2013
EukaryotaTrichoderma AtrovirideNACrutcher et al. 2013
EukaryotaTrichoderma ReeseiNACrutcher et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTrichoderma AsperellumPDA mediaHS-SPME/GC-MSno
EukaryotaTrichoderma AtroviridePDA mediaHS-SPME/GC-MSno
EukaryotaTrichoderma HarzianumPDA mediaHS-SPME/GC-MSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSno
EukaryotaTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no


2-methyl-1-benzofuran

Compound Details

Synonymous names
2-METHYLBENZOFURAN
4265-25-2
2-Methyl-1-benzofuran
Benzofuran, 2-methyl-
2-Methylcumarone
2-methyl-benzofuran
2-Methylbenzo[b]furan
8X3183BZ3X
MFCD00005850
UNII-8X3183BZ3X
EINECS 224-249-1
AI3-11240
2-Methyl-1-benzofuran #
2-Methylbenzofuran, 96%
SCHEMBL12264
2- METHYLBENZO(B)FURAN
FEMA NO. 4543
CHEBI:89722
DTXSID40863353
AMY38188
AKOS015889444
CS-W013412
MCULE-8018911974
AC-37134
AS-56948
SY039830
DB-050953
NS00047151
EN300-108850
F11695
A825974
Q27161912
Z1255386706
2-Methylbenzofuran; 2-Methylbenzo[b]furan; 2-Methylcumarone
InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H
Microorganism:

Yes

IUPAC name2-methyl-1-benzofuran
SMILESCC1=CC2=CC=CC=C2O1
InchiInChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
FormulaC9H8O
PubChem ID20263
Molweight132.16
LogP2.7
Atoms10
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ethers furan derivatives aromatic compounds heterocyclic compounds
CHEBI-ID89722
Supernatural-IDSN0101060

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno


2-butylfuran

Mass-Spectra

Compound Details

Synonymous names
2-BUTYLFURAN
4466-24-4
2-n-Butylfuran
Furan, 2-butyl-
2-butyl furan
2-n-Butyl furan
81JV9ZYK0D
MFCD00047071
2-n-Butylfuran; Furan, 2-butyl-
2-butyl-furan
UNII-81JV9ZYK0D
EINECS 224-732-7
2-Butylfuran, AldrichCPR
2-BUTYLFURAN [FHFI]
SCHEMBL256700
DTXSID8073340
FEMA NO. 4081
CHEBI:89750
NWZIYQNUCXUJJJ-UHFFFAOYSA-
AKOS025396869
PS-4850
SB60946
SY048490
2-Butylfuran 100 microg/mL in Acetonitrile
B2412
CS-0152344
NS00022199
2-Butylfuran 1000 microg/mL in Acetonitrile
D88935
EN300-7396471
Q27161938
InChI=1/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
Microorganism:

Yes

IUPAC name2-butylfuran
SMILESCCCCC1=CC=CO1
InchiInChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
FormulaC8H12O
PubChem ID20534
Molweight124.18
LogP3.1
Atoms9
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds furan derivatives
CHEBI-ID89750
Supernatural-IDSN0257523

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
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
EukaryotaBjerkandera AdustaNAZiegenbein et al. 2010
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-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
EukaryotaBjerkandera Adustano
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes


2-methylfuran-3-thiol

Mass-Spectra

Compound Details

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

Yes

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

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


Furan-2-ylmethyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
Furfuryl isovalerate
13678-60-9
furan-2-ylmethyl 3-methylbutanoate
Furfuryl 3-methylbutanoate
Isovaleric acid, furfuryl ester
2-Furanylmethyl isovalerate
Butanoic acid, 3-methyl-, 2-furanylmethyl ester
FEMA No. 3283
2-Furanylmethyl 3-methylbutanoate
3-Methylbutyric acid, 2-furanylmethyl ester
FEMA 3283
Butanoic acid, 3-methyl-, 2-furanmethyl ester
V7HH8621P6
UNII-V7HH8621P6
EINECS 237-171-8
furfuryl 3-methyl butanoate
SCHEMBL1532474
DTXSID4065579
CHEBI:179566
uran-2-ylmethyl 3-methylbutanoate
2-Furylmethyl 3-methylbutanoate #
FURFURYL ISOVALERATE [FHFI]
LMFA07010890
Furfuryl 3-methylbutanoate, >=98%, FG
DB-220745
NS00021621
Butanoic acid,3-methyl-,2-furanylmethyl ester
Q27291635
Microorganism:

Yes

IUPAC namefuran-2-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1=CC=CO1
InchiInChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
FormulaC10H14O3
PubChem ID61658
Molweight182.22
LogP2
Atoms13
Bonds5
H-bond Acceptor3
H-bond Donor0
Chemical Classificationesters heterocyclic compounds furan derivatives aromatic compounds ethers
CHEBI-ID179566
Supernatural-IDSN0088012

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNADickschat et al. 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaChondromyces Crocatusn/an/ano


2-(methoxymethyl)furan

Mass-Spectra

Compound Details

Synonymous names
2-(Methoxymethyl)furan
Furfuryl methyl ether
13679-46-4
Furan, 2-(methoxymethyl)-
2-Furfuryl methyl ether
Furan, (methoxymethyl)-
Methyl furfuryl ether
furfurylmethylether
FEMA No. 3159
RRM754RXFN
97970-44-0
NSC-35554
UNII-RRM754RXFN
EINECS 237-176-5
NSC 35554
2-Methoxymethyl furan
2-methoxymethyl-furan
2-(methoxymethyl)uran
AI3-23506
2-(Methoxymethyl)-Furan
SCHEMBL872796
2-(Methoxymethyl)furan, 9CI
SCHEMBL9239311
DTXSID8065581
SCHEMBL13088437
FEMA 3159
CHEBI:173377
NSC35554
FURFURYL METHYL ETHER [FHFI]
GEO-03174
MFCD02262180
AKOS006276035
GS-0677
NS00021624
Q27288260
Microorganism:

Yes

IUPAC name2-(methoxymethyl)furan
SMILESCOCC1=CC=CO1
InchiInChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3
FormulaC6H8O2
PubChem ID61661
Molweight112.13
LogP0.9
Atoms8
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds furan derivatives
CHEBI-ID173377
Supernatural-IDSN0100509

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
EukaryotaFusarium SolaniNAAbraham et al. 1990
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaChondromyces Crocatusn/an/ano
EukaryotaFusarium Solanino