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chemical Classification: Furan
Furan-2-ylmethanol
Mass-Spectra
Compound Details
Synonymous names
Furfurylalcohol
formaldehyde copolymer
Furanmethanol
Furfuralcohol
Furfurylcarb
Furylcarbinol
furylmethanol
alpha-Furylcarbinol
Furfuranol
polyfurfuryl alcohol
XPFVYQJUAUNWIW-UHFFFAOYSA-N
2-Hydroxymethylfuran
2-hydroxymethylfurane
5-Hydroxymethylfuran
Furfural alcohol
FURFURYL ALCOHOL
FURFURYL ALCOHOL RESIN
Furyl alcohol
PFFA
2-furanemethanol
2-Furanylmethanol
2-Furfurylalkohol
poly-furfuryl alcohol
poly(furfurylalcohol)
2-Furancarbinol
2-Furanmethanol
2-Furylcarbinol
2-Furylmethanol
Furfuryl alcohol, analytical standard
Qo furfuryl alcohol
2-Hydroxymethyl-Furan
2-Furanmethanol, homopolymer
.alpha.-Furylcarbinol
2-Furane-methanol
2-Furfuryl alcohol
furan-2-ylmethanol
poly(furfuryl alcohol)
2-furan carbinol
AC1L1OL4
AC1Q7C2H
ACMC-20aiwg
Furan-2-methanol
Furylcarbinol (VAN)
2-(Hydroxymethyl)furan
.alpha.-Furfuryl alcohol
KSC234E7N
Furan-2-yl-methanol
NSC8843
PubChem19996
UN2874
(2-furyl)methanol
2-Furfurylalkohol [Czech]
CTK1D4276
F0076
Furfuryl alcohol, 98%
HSDB 711
AM81811
CHEMBL308187
omega-hydroxypoly(furan-2,5-diylmethylene) macromolecule
RL06102
STR01021
2-furylmethan-1-ol
C20441
CCRIS 2922
D582054MUH
(furan-2-yl)methanol
DTXSID2025347
HE027269
HE283278
HE341834
HE402089
HE402090
HE402091
LS-2036
NSC 8843
NSC-8843
omega-hydroxypoly(furan-2,5-diylmethylene)
SBB004373
UN 2874
(Fur-2-yl)methanol
A845784
CHEBI:53371
DSSTox_CID_5347
NCI-C56224
UNII-D582054MUH
WLN: T5OJ B1Q
ZINC1648266
AK-72801
AN-17685
ANW-75422
BR-72801
CJ-26639
DSSTox_GSID_25347
KB-52195
CHEBI:207496
DSSTox_RID_77760
Furfuryl alcohol, >=97%, FG
MFCD00003252
ZINC01648266
AI3-01171
DB-016149
ST50214441
TC-164167
TR-030270
(2-FURYL)-METHANOL (FURFURYLALCOHOL)
AKOS000119178
Epitope ID:136037
I14-7268
J-521401
BRN 0106291
FEMA No. 2491
FT-0668910
98-00-0
I14-22235
Z940713500
Furfuryl alcohol, natural, >=95%, FG
Tox21_202102
Tox21_303093
TRANSGENIC LECM (FURFURYL ALCOHOL) (SEE ALSO FURFURYL ALCOHOL)
F0001-2310
Methanol, (2-furyl)-
CAS-98-00-0
MCULE-4977977402
NCGC00249166-01
NCGC00256987-01
NCGC00259651-01
EINECS 202-626-1
25212-86-6
40795-25-3
88161-36-8
93793-62-5
767-EP2305688A1
767-EP2377610A2
767-EP2377611A2
767-EP2377849A2
Furfuryl alcohol [UN2874] [Poison]
MolPort-000-872-013
Furfuryl alcohol [UN2874] [Poison]
5-17-03-00338 (Beilstein Handbook Reference)
InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H
IUPAC name
furan-2-ylmethanol
SMILES
C1=COC(=C1)CO
Inchi
InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
Formula
C
5
H
6
O
2
PubChem ID
7361
Molweight
98.101
LogP
0.27
Atoms
13
Bonds
13
H-bond Acceptor
1
H-bond Donor
1
Chemical Classification
Furan
Alcohols
furans
ethers
mVOC Specific Details
Volatilization
The Henry's Law constant for furfuryl alcohol is estimated as 7.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.609 mm Hg(1), and an assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that furfuryl alcohol is expected to be essentially nonvolatile from water surfaces(3). Furfuryl alcohol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Furfuryl alcohol may volatilize from dry soil surfaces(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) McKillip WJ, Sherman E; in Kirk-Othmer Encycl Chem Tech 3rd ed 11: 499-527 (1978) (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 furfuryl alcohol is estimated as 34(SRC), using a log Kow of 0.28(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that furfuryl alcohol is expected to have very high mobility in soil. The pKa of furfuryl alcohol is 9.55(4), indicating that this compound will primarily exist in its neutral form in the environment(5).
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. 13 (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) (4) Serjeant EP, Dempsey B; Ionisation constants of organic acids in aqueous solution. IUPAC Chem Data Ser No.23. NY,NY: Pergamon pp. 989 (1979) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
Pressure
Reference
0.609 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
MS-MS Spectrum 152024
MS-MS Spectrum 89160
MS-MS Spectrum 89162
MS-MS Spectrum 152023
MS-MS Spectrum 152022
MS-MS Spectrum 89161
1D-NMR-Links
1D NMR Spectrum 4294
1D NMR Spectrum 4007
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Klebsiella Sp.
n/a
Schulz and Dickschat, 2007
Bacteria
Streptomyces Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Pseudomonas Chlororaphis R47
na
rhizosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Fluorescens R76
na
rhizosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Frederiksbergensis S04
na
phyllosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Frederiksbergensis S24
na
phyllosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Vranovensis R01
na
rhizosphere of field-grown potato plants
Hunziker et al., 2015
Fungi
Dickschat et al. 2011
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Klebsiella Sp.
n/a
n/a
Bacteria
Streptomyces Spp.
n/a
n/a
Bacteria
Pseudomonas Chlororaphis R47
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Fluorescens R76
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Frederiksbergensis S04
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Frederiksbergensis S24
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Vranovensis R01
LB medium
GC/MS
Yes
Fungi
no
Furan-2-carbaldehyde
Mass-Spectra
Compound Details
Synonymous names
Furancarboxaldehyde
Furfurylaldehyde
Furfuraldehyde
furfuraldehydl
Furaldehydes
Furancarbonal
alpha-Furfuraldehyde
Furaldehyde
Pyroligneous vinegar
FURFURAL
Furfurale
Furfurol
Furfurole
HYBBIBNJHNGZAN-UHFFFAOYSA-N
Pyroligneous acids
Pyromucic aldehyde
Quakeral
2-Furancarboxaldehyde
2-Furylcarboxaldehyde
Fufural
Furale
Furole
Pyroligneous acid extract
2-furancarbaldehyde
2-Furankarbaldehyd
Fural
Furol
Furyl-methanal
2-Furfuraldehyde
alpha-Furole
Furfural, analytical reference material
Qo furfural
WOOD VINEGAR
2-Formylofuran
2-Furanaldehyde
2-Furancarbonal
2-Furylaldehyde
2-Furylmethanal
Artificial ant oil
2-Formylfuran
2-Furaldehyde
2-furaldehydl
2-furan-carboxaldehyde
AC1Q6PVV
Bran oil
Fuf ural
Furan-2-carboxaldehyde
furan-2-carboxaldehydl
Wood Tar
2-Furfural
furan-2 carbaldehyde
furan-2-carbaldehyde
2-furanal
2-FURANCARBOXALDEHYDE, ACS
Artificial oil of ants
2-Furil-metanale
2-Furyl-methanal
AC1L1OL7
Ant Oil, artificial
furan-2-aldehyde
Furfurale [Italian]
2-Formyl furan
DJ1HGI319P
EBD294
Furfural (natural)
KSC214C0J
UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N
.alpha.-Furole
LS-28
NSC8841
UN1199
UNII-DJ1HGI319P
2-Furankarbaldehyd [Czech]
CTK1B4104
F0073
Furfural, 99%
HSDB 542
QSPL 006
QSPL 102
U1199
2-Formylofuran [Polish]
AM81812
BIDD:ER0698
CHEMBL189362
RL06103
STR00358
C14279
CCRIS 1044
DSSTox_CID_647
Rcra waste number U125
WLN: T5OJ BVH
DTXSID1020647
HE000135
NSC 8841
NSC-8841
SBB004386
STL283124
2-Furil-metanale [Italian]
A845786
ACMC-20978u
CHEBI:34768
Nci-C56177
ZINC3861345
ANW-13660
BP-31002
DSSTox_GSID_20647
KB-24259
SC-18048
TRA0077688
Caswell No. 466
Caswell No. 904
DSSTox_RID_75709
MFCD00003229
ZINC03861345
AI3-04466
DB-003668
Furfural, ACS reagent, 99%
LS-162370
RTC-069695
ST50213385
AKOS000118907
EPA Pesticide Chemical Code 043301
EPA Pesticide Chemical Code 067206
I14-0911
RCRA waste no. U125
BRN 0105755
FEMA No. 2489
FEMA No. 2967
FEMA No. 2968
FT-0627134
98-01-1
I14-22069
Tox21_111114
Tox21_202191
Tox21_300170
F1294-0048
Furfural, >=98%, FCC, FG
Furfural, for synthesis, 98.0%
CAS-98-01-1
Furaldehydes [UN1199] [Poison]
Furfural, SAJ first grade, >=99.0%
MCULE-5757882837
NCGC00091328-01
NCGC00091328-02
NCGC00091328-03
NCGC00091328-04
NCGC00253954-01
NCGC00259740-01
EINECS 202-627-7
EINECS 232-450-0
39276-09-0
Furfural, natural, >=98%, FCC, FG
2-Furaldehyde, 98% 250g
Furaldehydes [UN1199] [Poison]
MolPort-000-871-210
72277-EP2277848A1
72277-EP2308867A2
72277-EP2308870A2
5-17-09-00292 (Beilstein Handbook Reference)
InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4
IUPAC name
furan-2-carbaldehyde
SMILES
C1=COC(=C1)C=O
Inchi
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
Formula
C
5
H
4
O
2
PubChem ID
7362
Molweight
96.085
LogP
0.75
Atoms
11
Bonds
11
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Furan
Aldehydes
Aldehyde
furans
ethers
heterocyclic compounds
mVOC Specific Details
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
Pressure
Reference
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
MS-MS Spectrum 63973
MS-MS Spectrum 121019
MS-MS Spectrum 121017
MS-MS Spectrum 63972
MS-MS Spectrum 121018
MS-MS Spectrum 63974
1D-NMR-Links
1D NMR Spectrum 4008
1D NMR Spectrum 4295
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Bacillus Cereus B-569
n/a
Blom et al., 2011
Bacteria
Burkholderia Andropogonis LMG 2129
n/a
Blom et al., 2011
Bacteria
Burkholderia Caledonica LMG 19076
n/a
Blom et al., 2011
Bacteria
Burkholderia Caryophylli LMG 2155
n/a
Blom et al., 2011
Bacteria
Burkholderia Pyrrocinia LMG 21822
n/a
Blom et al., 2011
Bacteria
Burkholderia Sacchari LMG 19450
n/a
Blom et al., 2011
Bacteria
Burkholderia Sordidicola LMG 22029
n/a
Blom et al., 2011
Bacteria
Burkholderia Terricola LMG 20594
n/a
Blom et al., 2011
Bacteria
Burkholderia Thailandensis LMG 20219
n/a
Blom et al., 2011
Bacteria
Cellulomonas Uda
n/a
Blom et al., 2011
Bacteria
Chromobacterium Violaceum CV0
n/a
Blom et al., 2011
Bacteria
Cupriavidus Necator LMG 1199
n/a
Blom et al., 2011
Bacteria
Escherichia Coli OP50
n/a
Blom et al., 2011
Bacteria
Pandoraea Norimbergensis LMG 18379
n/a
Blom et al., 2011
Bacteria
Pseudomonas Aeruginosa PUPa3
n/a
Blom et al., 2011
Bacteria
Pseudomonas Chlororaphis
n/a
Blom et al., 2011
Bacteria
Pseudomonas Putida ISOf
n/a
Blom et al., 2011
Bacteria
Serratia Entomophilia A1MO2
n/a
Blom et al., 2011
Bacteria
Serratia Marcescens MG1
n/a
Blom et al., 2011
Bacteria
Serratia Plymuthica HRO-C48
n/a
Blom et al., 2011
Bacteria
Serratia Proteamaculans B5a
n/a
Blom et al., 2011
Bacteria
Stenotrophomonas Rhizophilla Ep10-p69
n/a
Blom et al., 2011
Fungi
Fusarium Culmorum PV
na
sandy dune soil, Netherlands
Schmidt et al., 2016
Fungi
Tuber Aestivum
n/a
Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).
Diaz et al., 2003
Bacteria
Collimonas Fungivorans Ter331
n/a
Garbeva et al., 2013
Bacteria
Collimonas Pratensis Ter91
n/a
Garbeva et al., 2013
Bacteria
Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267
n/a
Dickschat et al., 2005_3
Fungi
Kikuchi et al. 1983
Fungi
Ceratocystis Sp.
Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.
Stotzky and Schenk, 1976
Fungi
Fomitopsis Pinicola
na
Germany
Rösecke et al., 2000
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
na
Usami et al., 2014
Fungi
Puccinia Graminis Var. Tritici
Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.
Stotzky and Schenk, 1976
Fungi
Thielaviopsis Basicola
Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.
Stotzky and Schenk, 1976
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Bacillus Cereus B-569
MR-VP
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Burkholderia Andropogonis LMG 2129
MS and Angle
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Burkholderia Caledonica LMG 19076
MR-VP
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Burkholderia Caryophylli LMG 2155
MS
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Burkholderia Pyrrocinia LMG 21822
MS
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Burkholderia Sacchari LMG 19450
MS
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Burkholderia Sordidicola LMG 22029
Angle
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Burkholderia Terricola LMG 20594
MS
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Burkholderia Thailandensis LMG 20219
Angle
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Cellulomonas Uda
LB and Angle
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Chromobacterium Violaceum CV0
MR-VP
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Cupriavidus Necator LMG 1199
MR-VP
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Escherichia Coli OP50
MS and Angle
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Pandoraea Norimbergensis LMG 18379
MR-VP
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Pseudomonas Aeruginosa PUPa3
MR-VP
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Pseudomonas Chlororaphis
MS and Angle
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Pseudomonas Putida ISOf
MS
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Serratia Entomophilia A1MO2
MR-VP
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Serratia Marcescens MG1
LB
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Serratia Plymuthica HRO-C48
MR-VP
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Serratia Proteamaculans B5a
MS
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria
Stenotrophomonas Rhizophilla Ep10-p69
MS
Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Fungi
Fusarium Culmorum PV
water agar supplied with artificial root exudates
GC/MS-Q-TOF
No
Fungi
Tuber Aestivum
n/a
n/a
Bacteria
Collimonas Fungivorans Ter331
sand supplemented with artificial root exudates
Headspace trapping/GC-MS
Bacteria
Collimonas Pratensis Ter91
sand supplemented with artificial root exudates
Headspace trapping/GC-MS
Bacteria
Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267
n/a
n/a
Fungi
no
Fungi
Ceratocystis Sp.
n/a
n/a
Fungi
Fomitopsis Pinicola
na
GC/MS
No
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
GC/MS, GC-O, AEDA
No
Fungi
Puccinia Graminis Var. Tritici
n/a
n/a
Fungi
Thielaviopsis Basicola
n/a
n/a
2-methylfuran
Mass-Spectra
Compound Details
Synonymous names
Methylfuran
alpha-Methylfuran
VQKFNUFAXTZWDK-UHFFFAOYSA-N
Sylvan
Silvan
2methylfuran
Methyl furan
2-METHYLFURAN
AC1L1VYQ
5-Methylfuran
FURAN,METHYL-
.alpha.-Methylfuran
2-Methylfuran, analytical standard
2-Methyl furan
2-METHYL-FURAN
H639
AC1Q2R63
NSC3707
NSC5211
PubChem11230
Silvan [Czech]
UN2301
Furan, methyl-
2-METHYLFURAN,99%,STABILIZED
51O3BGW3F2
CTK1A6077
M0226
RP18394
LS-197
UNII-51O3BGW3F2
CCRIS 2920
LTBB003942
HE020704
AK163149
HE140520
HE140521
HE349545
NSC 3707
NSC-3707
NSC-5211
STL264121
UN 2301
BC001078
CHEMBL1445555
DTXSID9025611
ZINC1666987
CHEBI:88912
ACMC-209l78
A829577
DSSTox_CID_5611
DSSTox_GSID_25611
ANW-31746
TRA0010438
CJ-27020
TRA0074450
AN-21295
KB-25115
WLN: T5OJ B1
Furan, 2-methyl-
MFCD00003248
DSSTox_RID_77854
ZINC01666987
DB-015962
ST24040899
RTC-040019
AI3-24245
J-510050
AKOS000120176
I14-6532
FT-0613043
BRN 0103733
Z940713482
2-Methylfuran, 99%, FG
2-Methylfuran, >=98%, stabilized with BHT
Tox21_200203
F0001-1386
534-22-5
NCGC00257757-01
NCGC00091686-02
NCGC00091686-01
MCULE-3620289319
CAS-534-22-5
EINECS 248-253-8
EINECS 208-594-5
27137-41-3
MolPort-019-317-114
2-Methylfuran [UN2301] [Flammable liquid]
2-Methylfuran [UN2301] [Flammable liquid]
5-17-01-00322 (Beilstein Handbook Reference)
2-Methylfuran, contains 200-400 BHT as stabilizer, 99%
InChI=1/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H
IUPAC name
2-methylfuran
SMILES
CC1=CC=CO1
Inchi
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
Formula
C
5
H
6
O
PubChem ID
10797
Molweight
82.102
LogP
1.31
Atoms
12
Bonds
12
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
Furan
furans
ethers
heterocyclic compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 90953
MS-MS Spectrum 154230
MS-MS Spectrum 154232
MS-MS Spectrum 154231
MS-MS Spectrum 90951
MS-MS Spectrum 90952
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Burkholderia Sp. AD24
bacterial interations
rhizosphere and bulk soil of Carex arenaria
Tyc et al. 2017
Bacteria
Klebsiella Pneumoniae ATCC 13883
Rees et al. 2017
Bacteria
Paenibacillus Sp. AD87
bacterial interations
rhizosphere and bulk soil of Carex arenaria
Tyc et al. 2017
Bacteria
Thermoactinomyces Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Thermoactinomyces Vulgaris DSM 43016
na
soil
Wilkins, 1996
Fungi
Nemcovic et al. 2008
Fungi
Aspergillus Versicolor
Schleibinger et al.,2005
Fungi
Eurotium Amstelodami
Schleibinger et al.,2005
Fungi
Penicillium Brevicompactum
Schleibinger et al.,2005
Fungi
Tuber Borchii
n/a
Fortywoodland of the Basilicata region
Mauriello et al., 2004
Bacteria
Bacillus Amyloliquefaciens IN937a
n/a
Lee et al., 2012
Bacteria
Streptomyces
Jones et al. eLife 2017;6:e21738.
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Burkholderia Sp. AD24
TSBA
GC-Q-TOF
no
Bacteria
Klebsiella Pneumoniae ATCC 13883
LB
SPME / GCxGC-TOFMS
no
Bacteria
Paenibacillus Sp. AD87
TSBA
GC-Q-TOF
no
Bacteria
Thermoactinomyces Spp.
n/a
n/a
Bacteria
Thermoactinomyces Vulgaris DSM 43016
Nutrient agar CM3
GC/MS
Fungi
no
Fungi
Aspergillus Versicolor
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Eurotium Amstelodami
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Penicillium Brevicompactum
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Tuber Borchii
n/a
microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria
Bacillus Amyloliquefaciens IN937a
Tryptic soy agar
SPME coupled with GC-MS
Bacteria
Streptomyces
YPD agar
GCxGC-TOFMS
no
Methyl Furan-2-carboxylate
Mass-Spectra
Compound Details
Synonymous names
HDJLSECJEQSPKW-UHFFFAOYSA-N
Methyl pyromucate
METHYL FUROATE
Methyl 2-furancarboxylate
Methyl 2-furylcarboxylate
Pyromucic acid methyl ester
Furancarboxylic acid, methyl ester
Furoic acid methyl ester
2-Furancarboxylic Acid Methyl Ester
Methyl furan-2-carboxylate
2-(Methoxycarbonyl)furan
Methyl 2-furoate
METHYL-2-FUROATE
AC1L1YE9
2-methyl furate
ACMC-1BVH2
O9A8D29YDE
PubChem7090
M650
KSC493E6P
Furoic acid, methyl ester
UNII-WS10TS94NA component HDJLSECJEQSPKW-UHFFFAOYSA-N
furan-2-carboxylic acid methyl
Methyl .alpha.-furoate
UNII-O9A8D29YDE
2-furan carboxylic acid methyl ester
furan-2-carboxylic acid methyl ester
2-Furancarboxylic acid, methyl ester
F0075
2-Furoic acid methyl ester
CTK3J3267
RL04304
RP19666
SCHEMBL363937
NSC35551
VZ32543
CCRIS 2158
ZINC388192
HE000442
DTXSID7060598
STK397389
ZB011347
LS-2926
Furan-.alpha.-carboxylic acid methyl ester
BC218745
SBB059585
WLN: T5OJ BVO1
M-6041
2-FUROIC ACID, METHYL ESTER
AJ-20482
NSC-35551
NSC 35551
SC-50813
ST2413494
TRA0032626
TRA0065124
AK-73007
BR-73007
KB-86363
ANW-75614
AN-21620
MFCD00003236
ZINC00388192
ST50715784
RTR-021059
TR-021059
Methyl 2-furoate, 98%
KB-114546
DB-003714
AM20100488
AI3-23585
Q-100703
I14-1083
AKOS000120062
FT-0612467
BRN 0111110
FEMA No. 2703
I14-23319
I14-21911
I14-13671
611-13-2
Methyl 2-furoate, >=98%, FG
MCULE-5445948487
EINECS 210-254-6
Methyl 2-furoate, natural, 99%, FG
MolPort-001-769-056
5-18-06-00103 (Beilstein Handbook Reference)
IUPAC name
methyl furan-2-carboxylate
SMILES
COC(=O)C1=CC=CO1
Inchi
InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
Formula
C
6
H
6
O
3
PubChem ID
11902
Molweight
126.111
LogP
1.04
Atoms
15
Bonds
15
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Furan
Esters
furans
ethers
heterocyclic compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 9533
MS-MS Spectrum 16206
MS-MS Spectrum 9535
MS-MS Spectrum 16205
MS-MS Spectrum 16207
MS-MS Spectrum 9534
1D-NMR-Links
1D NMR Spectrum 3927
1D NMR Spectrum 4206
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Loktanella Sp.
n/a
Schulz and Dickschat, 2007
Bacteria
Nannocystis Exedens Na EB37
n/a
Dickschat et al., 2007
Bacteria
Nannocystis Exedens Subsp. Cinnabarina Na C29
n/a
Dickschat et al., 2007
Fungi
Armillaria Mellea
n/a
Mueller et al., 2013
Fungi
Pholiota Squarrosa
n/a
Mueller et al., 2013
Fungi
Stropharia Rugosoannulata
n/a
Mueller et al., 2013
Fungi
Trichoderma Viride
n/a
Mueller et al., 2013
Fungi
Verticillium Longisporum
n/a
Mueller et al., 2013
Bacteria
Salinispora Tropica CNB-440
na
marine sediment
Groenhagen et al., 2016
Bacteria
Loktanella Sp. Bio-204
n/a
Dickschat et al., 2005_4
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Loktanella Sp.
n/a
n/a
Bacteria
Nannocystis Exedens Na EB37
n/a
n/a
Bacteria
Nannocystis Exedens Subsp. Cinnabarina Na C29
n/a
n/a
Fungi
Armillaria Mellea
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Pholiota Squarrosa
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Stropharia Rugosoannulata
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Trichoderma Viride
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Verticillium Longisporum
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Bacteria
Salinispora Tropica CNB-440
seawater-based A1
GC/MS
Bacteria
Loktanella Sp. Bio-204
n/a
n/a
3-methylfuran
Mass-Spectra
Compound Details
Synonymous names
KJRRQXYWFQKJIP-UHFFFAOYSA-N
2-Azacyclobutanone
3-methylfurane
3-METHYLFURAN
3-Methylfuran, AldrichCPR
3-methyl furan
3-methyl-furan
3-methyl-fura
AC1L221I
3-Methylfuran-methyl-D3
PubChem19993
X5961
3-methylfuran,98%
M0939
CTK3I8103
VZ35151
ACMC-20an04
NSC346905
HE142616
HE027296
X-4282
ZINC1580392
A844425
3-methylfuran (stabilized with hq)
CJ-25129
5R72A0440N
LS-70258
KB-32635
AN-48024
Furan, 3-methyl-
DTXSID10239228
FCH1116445
GEO-01834
ZINC01580392
MFCD00060134
NSC-346905
DB-016017
UNII-5R72A0440N
TR-029158
RTR-029158
NSC 346905
AKOS005255084
S14-0927
FT-0616160
FT-0671790
3-methylfuran, 98% 1gr
BRN 0104217
I14-22064
930-27-8
3-methylfuran (stabilized with hq) 98+%
MolPort-019-910-356
5-17-01-00330 (Beilstein Handbook Reference)
InChI=1/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H
IUPAC name
3-methylfuran
SMILES
CC1=COC=C1
Inchi
InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
Formula
C
5
H
6
O
PubChem ID
13587
Molweight
82.102
LogP
1.63
Atoms
12
Bonds
12
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
Furan
furans
ethers
mVOC Specific Details
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Aspergillus Flavus
Schnürer et al. 1999
Fungi
Penicillium Brevicompactum
Schnürer et al. 1999
Bacteria
Streptomyces Spp.
n/a
Schulz and Dickschat, 2007
Fungi
Börjesson et al. 1990
Fungi
Aspergillus Versicolor
Schleibinger et al.,2005
Fungi
Aspergillus Versicolor Tiraboschi
na
damp indoor environments, food products
Sunesson et al., 1995
Fungi
Chaetomium Globosum
Schleibinger et al.,2005
Fungi
Cladosporium Cladosporioides Ellis
na
indoor, outdoor, on a wide range of materials
Sunesson et al., 1995
Fungi
Eurotium Amstelodami
Schleibinger et al.,2005
Fungi
Paecilomyces Variotii Bain
na
compost, soils, food products
Sunesson et al., 1995
Fungi
Penicillium Aurantiogriseum
n/a
Boerjesson et al., 1990
Fungi
Penicillium Brevicompactum
Schleibinger et al.,2005
Fungi
Penicillium Commune Pitt
na
in dry-cured meat products, cheese
Sunesson et al., 1995
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Aspergillus Flavus
malt extract agar with 0.5-1.0% acetic acid
TenaxGC,Chromosorb,HS-SPME, GC-MS
no
Fungi
Penicillium Brevicompactum
malt extract agar with 0.5-1.0% acetic acid
TenaxGC,Chromosorb,HS-SPME, GC-MS
no
Bacteria
Streptomyces Spp.
n/a
n/a
Fungi
no
Fungi
Aspergillus Versicolor
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Aspergillus Versicolor Tiraboschi
DG18
GC/MS
Fungi
Chaetomium Globosum
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Cladosporium Cladosporioides Ellis
DG18
GC/MS
Fungi
Eurotium Amstelodami
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Paecilomyces Variotii Bain
DG18,MEA
GC/MS
Fungi
Penicillium Aurantiogriseum
n/a
n/a
Fungi
Penicillium Brevicompactum
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Penicillium Commune Pitt
DG18
GC/MS
2,5-dimethyloxolane
Mass-Spectra
Compound Details
Synonymous names
OXMIDRBAFOEOQT-UHFFFAOYSA-N
2,5-DIMETHYLTETRAHYDROFURAN
TRANS-2,5-DIMETHYLTETRAHYDROFURAN
2,5-Dimethyltetrahydrofuran,c&t
AC1L22MK
2,5-dimethyl-tetrahydrofuran
2,5-dimethyloxolane
Tetrahydro-2,5-dimethylfuran
ACMC-1C5FN
cis-Tetrahydro-2,5-Dimethylfuran
SCHEMBL27888
Z5431
D1948
NSC12594
2,5-dimethyl-tetrahydro-furan
AK116904
HE327758
HE149752
HE011677
TRA0071996
FCH1116938
NSC-12594
NSC 12594
CC-07891
2,5-DIMETHYLTETRAHYDROFURAN (STABILZED WITH BHT)
MFCD00005369
C-30257
KB-165403
TC-171140
2,5-Dimethyltetrahydrofuran, mixture of cis and trans
J-501006
AKOS015904670
Furan, tetrahydro-2,5-dimethyl-
FT-0610482
(2R,5S)-2,5-dimethyltetrahydrofuran
1003-38-9
EINECS 213-707-6
2,5-Dimethyltetrahydrofuran, mixture of cis and trans, 96%
Furan, tetrahydro-2,5-dimethyl- (8CI)(9CI)
IUPAC name
2,5-dimethyloxolane
SMILES
CC1CCC(O1)C
Inchi
InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3
Formula
C
6
H
1
2
O
PubChem ID
13855
Molweight
100.161
LogP
1.36
Atoms
19
Bonds
19
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Furan
ethers
heterocyclic compounds
mVOC Specific Details
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Actinomycetes Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Bacillus Amyloliquefaciens IN937a
n/a
Lee et al., 2012
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Actinomycetes Spp.
n/a
n/a
Bacteria
Bacillus Amyloliquefaciens IN937a
Tryptic soy agar
SPME coupled with GC-MS
1-(furan-2-yl)ethanone
Mass-Spectra
Compound Details
Synonymous names
Acetylfuran
IEMMBWWQXVXBEU-UHFFFAOYSA-N
2-acetylfurane
2-Furylethanone
Furyl methyl ketone
2-Acetylfuran
AC1Q1JXY
AC1L23YX
ACMC-1BPS0
PubChem6939
2-Acetyl furan
I896
KSC175C9R
Methyl 2-furyl ketone
2-Furyl methyl ketone
SCHEMBL43960
NSC4665
CTK0H5198
A0091
2-Aminomethyl-azetidine-1-carboxylic acid tert-butylester
1-Furan-2-ylmethanone
Q5ZRP80K02
NSC49133
2-Furyl methyl ketone, analytical standard
STR05504
AM91073
RP18952
ZINC157401
CCRIS 3161
Ketone, 2-furyl methyl
UNII-Q5ZRP80K02
NSC 4665
NSC-4665
PS-4586
SBB040248
HE110254
HE017372
STK400329
ZB006673
DTXSID0051601
BBL027427
CHEBI:59983
A804234
AJ-15008
NSC-49133
NSC 49133
1-Furan-2-yl-ethanone
LS-87211
KB-12200
SC-00529
AB1001236
AC-11853
ST2415091
AK-53418
Furan, 2-acetyl-
ANW-17304
AN-20640
TRA0078485
CJ-01650
1-(2-FURANYL)ETHANONE
1-(2-Furyl)ethanone
BB_SC-6820
2-Furyl methyl ketone (natural)
MFCD00003242
ZINC00157401
DB-003253
RTR-003241
AI3-23586
TR-003241
ST50213408
AKOS000119584
Epitope ID:136039
I14-0303
Q-100089
1-(2-Furyl)ethanone #
1-(furan-2-yl)ethanone
1-(2-Furanyl)-ethanone
2-Furyl methyl ketone, 99%
BRN 0107909
(2-furanyl)-1-ethanone
FEMA No. 3163
FT-0610977
I14-22249
Ethanone, 1-(furanyl)-
F0001-0316
1-(furan-2-yl)-ethanone
MCULE-6389695813
1192-62-7
EINECS 214-757-1
2-Furyl methyl ketone, >=99%, FG
80145-44-4
Ethanone, 1-(2-furanyl)-
1-(2-Furanyl)ethanone; 2-Furyl methyl ketone
1-(Furan-2-yl)ethan-1-one
MolPort-000-871-221
2-Furyl methyl ketone, natural (US), >=97%, FG
5-17-09-00381 (Beilstein Handbook Reference)
2-Furyl methyl ketone, purum, >=99.0% (GC)
InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H
IUPAC name
1-(furan-2-yl)ethanone
SMILES
CC(=O)C1=CC=CO1
Inchi
InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
Formula
C
6
H
6
O
2
PubChem ID
14505
Molweight
110.112
LogP
0.59
Atoms
14
Bonds
14
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Furan
Ketones
furans
ethers
mVOC Specific Details
MS-Links
MS-MS Spectrum 105156
MS-MS Spectrum 105157
MS-MS Spectrum 171600
MS-MS Spectrum 171602
MS-MS Spectrum 105158
MS-MS Spectrum 171601
1D-NMR-Links
1D NMR Spectrum 4080
1D NMR Spectrum 3815
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Burkholderia Ambifaria LMG 17828
n/a
Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.
Groenhagen et al., 2013
Bacteria
Burkholderia Ambifaria LMG 19182
n/a
Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.
Groenhagen et al., 2013
Bacteria
Burkholderia Ambifaria LMG 19467
n/a
Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.
Groenhagen et al., 2013
Bacteria
Myxobacterium Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Octadecabacter Sp. ARK10255b
n/a
Dickschat et al., 2005_3
Bacteria
Pseudomonas Chlororaphis R47
na
rhizosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Fluorescens R76
na
rhizosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Frederiksbergensis S04
na
phyllosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Frederiksbergensis S24
na
phyllosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Jessenii S34
na
phyllosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Syringae S22
na
phyllosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Veronii R02
na
rhizosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Pseudomonas Vranovensis R01
na
rhizosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
Stigmatella Aurantiaca DW4/3-1
n/a
Dickschat et al., 2005_5
Bacteria
Stigmatella Aurantiaca Sg A15
n/a
Dickschat et al., 2005_5
Bacteria
Streptomyces Citreus
n/a
Schulz and Dickschat, 2007
Bacteria
Streptomyces Sp. GWS-BW-H5.
n/a
Dickschat et al., 2005_2
Fungi
Dickschat et al. 2011
Bacteria
Pseudomonas Flureorescens SBW25
Cheng et al. 2016
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Burkholderia Ambifaria LMG 17828
Luria-Bertani medium, Malt Extract
n/a
Bacteria
Burkholderia Ambifaria LMG 19182
Luria-Bertani medium, Malt Extract
n/a
Bacteria
Burkholderia Ambifaria LMG 19467
Luria-Bertani medium, Malt Extract
n/a
Bacteria
Myxobacterium Spp.
n/a
n/a
Bacteria
Octadecabacter Sp. ARK10255b
n/a
n/a
Bacteria
Pseudomonas Chlororaphis R47
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Fluorescens R76
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Frederiksbergensis S04
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Frederiksbergensis S24
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Jessenii S34
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Syringae S22
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Veronii R02
LB medium
GC/MS
Yes
Bacteria
Pseudomonas Vranovensis R01
LB medium
GC/MS
Yes
Bacteria
Stigmatella Aurantiaca DW4/3-1
n/a
n/a
Bacteria
Stigmatella Aurantiaca Sg A15
n/a
n/a
Bacteria
Streptomyces Citreus
n/a
n/a
Bacteria
Streptomyces Sp. GWS-BW-H5.
n/a
n/a
Fungi
no
Bacteria
Pseudomonas Flureorescens SBW25
Kings B + rif,+kann; PDA
GC-Q-TOF-MS
no
Furan-2-ylmethyl 3-methylbutanoate
Mass-Spectra
Compound Details
Synonymous names
Furfuryl isovalerate
FKGUIBCHHSHJNQ-UHFFFAOYSA-N
2-Furanylmethyl isovalerate
Isovaleric acid furfuryl ester
Furfuryl 3-methylbutanoate
AC1L1VOA
2-Furanylmethyl 3-methylbutanoate
2-Furylmethyl 3-methylbutanoate
Isovaleric acid, furfuryl ester
furan-2-ylmethyl 3-methylbutanoate
2-Furylmethyl 3-methylbutanoate #
V7HH8621P6
DTXSID4065579
SCHEMBL1532474
3-Methylbutyric acid, 2-furanylmethyl ester
HE039171
HE308303
ZINC1850675
UNII-V7HH8621P6
AN-18473
LMFA07010890
Furfuryl 3-methylbutanoate, >=98%, FG
FEMA No. 3283
BUTANOIC ACID,3-METHYL-, 2-FURANYLMETHYL ESTER
Butanoic acid, 3-methyl-, 2-furanylmethyl ester
EINECS 237-171-8
Butanoic acid, 3-methyl-, 2-furanmethyl ester
13678-60-9
IUPAC name
furan-2-ylmethyl 3-methylbutanoate
SMILES
CC(C)CC(=O)OCC1=CC=CO1
Inchi
InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
Formula
C
1
0
H
1
4
O
3
PubChem ID
61658
Molweight
182.219
LogP
2.14
Atoms
27
Bonds
27
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Furan
Esters
Furans
ethers
heterocyclic compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 153661
MS-MS Spectrum 55105
MS-MS Spectrum 55104
MS-MS Spectrum 55106
MS-MS Spectrum 153662
MS-MS Spectrum 153660
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Chondromyces Crocatus
n/a
Schulz and Dickschat, 2007
Bacteria
Chondromyces Crocatus Cm C2
n/a
Dickschat et al., 2005_6
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Chondromyces Crocatus
n/a
n/a
Bacteria
Chondromyces Crocatus Cm C2
n/a
n/a
2-(methoxymethyl)furan
Mass-Spectra
Compound Details
Synonymous names
Furfurylmethyl ether
GANSPRKOWQQXPE-UHFFFAOYSA-N
Furfuryl methyl ether
Methyl furfuryl ether
2-Methoxymethyl furan
AC1L1VOJ
2-furylmethyl methyl ether
RRM754RXFN
2-(Methoxymethyl)furan
2-Furfuryl methyl ether
UNII-RRM754RXFN
ACMC-1AZ1Z
METHYL, 2-FURANYLMETHOXY-
CTK3F1857
NSC35554
SCHEMBL872796
DTXSID8065581
FCH846086
HE311318
Furan, (methoxymethyl)-
HE308313
SCHEMBL9239311
HE025666
ZINC1668230
GEO-03174
CJ-27048
NSC 35554
NSC-35554
AN-18474
SCHEMBL13088437
AI3-23506
AKOS006276035
Furan, 2-(methoxymethyl)-
FEMA No. 3159
BBV-38282298
EINECS 237-176-5
97970-44-0
13679-46-4
IUPAC name
2-(methoxymethyl)furan
SMILES
COCC1=CC=CO1
Inchi
InChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3
Formula
C
6
H
8
O
2
PubChem ID
61661
Molweight
112.128
LogP
0.91
Atoms
16
Bonds
16
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Furan
Ethers
furans
mVOC Specific Details
MS-Links
MS-MS Spectrum 123684
MS-MS Spectrum 123686
MS-MS Spectrum 66180
MS-MS Spectrum 123685
MS-MS Spectrum 66181
MS-MS Spectrum 66182
MS-Links
GC-MS Spectrum 2462
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Chondromyces Crocatus
n/a
Schulz and Dickschat, 2007
Fungi
Abraham et al. 1990
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Chondromyces Crocatus
n/a
n/a
Fungi
no
2,4-dimethylfuran
Mass-Spectra
Compound Details
Synonymous names
AABTWRKUKUPMJG-UHFFFAOYSA-N
2,4-DIMETHYLFURAN
AC1L2E64
Y6577
CTK1C4684
2,4-Dimethylfuran #
2,4-dimethyl-furan
2,4-dimethyl furan
HE027525
HE134124
CHEBI:89526
ZINC5362481
DTXSID50190602
KB-17640
AKOS015905551
Furan, 2,4-dimethyl-
I14-22349
3710-43-8
IUPAC name
2,4-dimethylfuran
SMILES
CC1=CC(=CO1)C
Inchi
InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
Formula
C
6
H
8
O
PubChem ID
19462
Molweight
96.129
LogP
1.83
Atoms
15
Bonds
15
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
Furan
ethers
furans
mVOC Specific Details
MS-Links
MS-MS Spectrum 127040
MS-MS Spectrum 127038
MS-MS Spectrum 68895
MS-MS Spectrum 127039
MS-MS Spectrum 68896
MS-MS Spectrum 68897
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Collimonas Fungivorans Ter331
n/a
Garbeva et al., 2013
Bacteria
Collimonas Pratensis Ter91
n/a
Garbeva et al., 2013
Fungi
Brock et al. 2011
Fungi
Fusarium Culmorum PV
na
sandy dune soil, Netherlands
Schmidt et al., 2016
Fungi
Paecilomyces Variotii Bain
na
compost, soils, food products
Sunesson et al., 1995
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Collimonas Fungivorans Ter331
sand supplemented with artificial root exudates
Headspace trapping/GC-MS
Bacteria
Collimonas Pratensis Ter91
sand supplemented with artificial root exudates
Headspace trapping/GC-MS
Fungi
no
Fungi
Fusarium Culmorum PV
potato dextrose agar
GC/MS-Q-TOF
No
Fungi
Paecilomyces Variotii Bain
MEA
GC/MS
1-(5-methylfuran-2-yl)ethanone
Mass-Spectra
Compound Details
Synonymous names
KEFJLCGVTHRGAH-UHFFFAOYSA-N
AC1Q1JNK
ACMC-1BREJ
AC1L23ZO
5-Methyl-2-furylmethylketone
PubChem6971
KSC490Q2N
L146
2-ACETYL-5-METHYLFURAN
A0983
5-Methyl-2-acetylfuran
CTK3J0826
5-Acetyl-2-methylfuran
2-Methyl-5-acetylfuran
R1060
2-Acetyl 5-methylfuran
SCHEMBL183532
NSC80404
VZ35666
CHEMBL455506
IY49408H2O
BC218741
SBB046935
BBL027428
2-Acetyl-5-methylfuran, analytical standard
LS-2540
HE020735
STK502523
HE093033
ZINC1596545
UNII-IY49408H2O
2-acetyl 5-methyl furan
2-acetyl-5-methyl furan
2-Acetyl-5-methyl-furan
A804269
5-Methyl-2-acetyl furan
AJ-27857
TRA0050147
GEO-00034
Methyl 5-methyl-2-furyl ketone
NSC 80404
NSC-80404
DTXSID70152409
CJ-25611
CJ-05652
AK-77189
AB0004836
AC-23593
ANW-17323
AN-20645
ZINC01596545
CHEBI:562752
MFCD00003243
BB_SC-5466
ALBB-002841
DB-003537
TR-003258
RTR-003258
ST50945663
ST24026933
KB-173728
KB-197995
Q-100091
Z94598638
AKOS000119488
Epitope ID:136040
I14-0733
FT-0610962
Ketone, methyl 5-methyl-2-furyl
BRN 0110853
FEMA No. 3609
2-Acetyl-5-methylfuran, 98%
F0001-0319
Furan, 2-acetyl-5-methyl-
1-(5-Methyl-2-furanyl)ethanone
1-(5-methylfuran-2-yl)ethanone
1-(5-Methyl-2-furyl)ethanone
MCULE-9973272981
1193-79-9
EINECS 214-779-1
1-(5-Methyl-2-furyl)ethanone #
2-Acetyl-5-methylfuran, >=98%, FG
MolPort-001-769-615
1-(5-methyl-furan-2-yl)-ethanone
1-(5-methylfuran-2-yl)ethan-1-one
1-(5-Methyl-2-furyl)ethan-1-one
Ethanone, 1-(5-methyl-2-furanyl)-
5-17-09-00424 (Beilstein Handbook Reference)
InChI=1/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H
IUPAC name
1-(5-methylfuran-2-yl)ethanone
SMILES
CC1=CC=C(O1)C(=O)C
Inchi
InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
Formula
C
7
H
8
O
2
PubChem ID
14514
Molweight
124.139
LogP
0.79
Atoms
17
Bonds
17
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
furans
ketones
ethers
mVOC Specific Details
MS-Links
MS-MS Spectrum 9465
MS-MS Spectrum 9464
MS-MS Spectrum 9466
MS-MS Spectrum 16138
MS-MS Spectrum 16136
MS-MS Spectrum 16137
MS-Links
GC-MS Spectrum 2670
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Penicillium Brevicompactum
compost
Fischer et al. 2011
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Penicillium Brevicompactum
yest extract sucrose
Tenax/GC-MS
no
2-butylfuran
Mass-Spectra
Compound Details
Synonymous names
NWZIYQNUCXUJJJ-UHFFFAOYSA-N
NWZIYQNUCXUJJJ-UHFFFAOYSA-
2-BUTYLFURAN
AC1L2GGS
2-Butylfuran, AldrichCPR
2-butyl furan
2-n-Butylfuran
81JV9ZYK0D
ACMC-1AD5K
OR3223
UNII-81JV9ZYK0D
Furan, butyl-
CTK1D6431
B2412
SCHEMBL256700
2-n-Butyl furan
PS-4850
DTXSID8073340
AK324207
HE019489
HE343745
CHEBI:89750
ZINC2037803
ANW-30174
CJ-32100
FCH1114917
Furan, 2-butyl-
ACM4466244
KB-85568
C-52872
ZX-AT005470
MFCD00047071
ZINC02037803
TC-118919
AKOS025396869
FT-0613148
I14-94392
2-(But-1-yl)furan
1-(Fur-2-yl)butane
4466-24-4
EINECS 224-732-7
MolPort-001-767-623
InChI=1/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
IUPAC name
2-butylfuran
SMILES
CCCCC1=CC=CO1
Inchi
InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
Formula
C
8
H
1
2
O
PubChem ID
20534
Molweight
124.183
LogP
2.72
Atoms
21
Bonds
21
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
furans
ethers
mVOC Specific Details
MS-Links
MS-MS Spectrum 177128
MS-MS Spectrum 109646
MS-MS Spectrum 177127
MS-MS Spectrum 177126
MS-MS Spectrum 109645
MS-MS Spectrum 109644
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Aspergillus Flavus NRRL 18543
n/a
Beck et al., 2012
Fungi
Aspergillus Flavus NRRL 25347
n/a
Beck et al., 2012
Fungi
Aspergillus Niger NRRL 326
n/a
Beck et al., 2012
Fungi
Aspergillus Parasiticus NRRL 5862
n/a
Beck et al., 2012
Fungi
Bjerkandera Adusta
Ziegenbein et al 2010
Fungi
Penicillium Glabrum NRRL 766
n/a
Beck et al., 2012
Fungi
Rhizopus Stolonifer NRRL 54667
n/a
Beck et al., 2012
Fungi
Xylaria Sp.
na
Haematoxylon brasiletto, Morelos, Mexico
Sánchez-Ortiz et al., 2016
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Aspergillus Flavus NRRL 18543
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Flavus NRRL 25347
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Niger NRRL 326
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Parasiticus NRRL 5862
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Bjerkandera Adusta
no
Fungi
Penicillium Glabrum NRRL 766
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Rhizopus Stolonifer NRRL 54667
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Xylaria Sp.
PDA medium
SPME-GC/MS
Yes
2-ethyl-5-methylfuran
Mass-Spectra
Compound Details
Synonymous names
NBXLPPVOZWYADY-UHFFFAOYSA-N
AC1L2LPO
AC1Q6ZH1
8739AA
2-Ethyl-5-methylfuran
2-Methyl-5-ethylfuran
CTK0I4245
SCHEMBL144611
AK123311
HE027925
FCH831781
CHEBI:88617
ZINC1995224
2-Ethyl-5-methyl-furan
DTXSID80168839
AX8247489
AJ-32274
KB-230411
AKOS006228280
I14-48848
Furan, 2-ethyl-5-methyl-
1703-52-2
EINECS 216-937-5
IUPAC name
2-ethyl-5-methylfuran
SMILES
CCC1=CC=C(O1)C
Inchi
InChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
Formula
C
7
H
1
0
O
PubChem ID
74346
Molweight
110.156
LogP
2.04
Atoms
18
Bonds
18
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
furans
ethers
heterocyclic compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 70165
MS-MS Spectrum 70166
MS-MS Spectrum 128605
MS-MS Spectrum 128604
MS-MS Spectrum 128606
MS-MS Spectrum 70164
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Penicillium Crustosum
n/a
Fischer et al., 1999
Fungi
Nemcovic et al. 2009
Bacteria
Pseudomonas Flureorescens SBW25
Cheng et al. 2016
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Penicillium Crustosum
yeast extract sucrose agar
n/a
Fungi
no
Bacteria
Pseudomonas Flureorescens SBW25
Kings B + rif,+kann; PDA
GC-Q-TOF-MS
no
2-ethylfuran
Mass-Spectra
Compound Details
Synonymous names
HLPIHRDZBHXTFJ-UHFFFAOYSA-N
alpha-Ethylfuran
a-Ethylfuran
2-Ethylfuran
2-Ethyloxole
ACMC-1ADVN
2-Ethylfuran, analytical standard
AC1L2CB0
2-ETHYL FURAN
KSC178K2D
FURAN, ETHYL-
OR6028
T8O6J71T9O
X6054
E0454
NE10273
VZ34666
UNII-T8O6J71T9O
CCRIS 4387
Jsp005947
CHEMBL2269084
HE334864
DTXSID7062906
HE009412
ZINC2037726
2-Ethylfuran, >=99%
A821123
AB1005929
TRA0002848
AN-21769
ANW-27261
CJ-07550
CJ-32094
2-Ethylfuran, 97%
GEO-01350
Furan, 2-ethyl-
ZINC02037726
MFCD00003259
ACN-S003344
KB-170354
LS-179535
RT-000854
I14-6304
W-106860
AKOS005254497
Furan, .alpha.-ethyl-
FEMA No. 3673
FT-0612271
Z1251171269
MCULE-6819919667
3208-16-0
EINECS 221-714-0
MolPort-001-769-736
InChI=1/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H
IUPAC name
2-ethylfuran
SMILES
CCC1=CC=CO1
Inchi
InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
Formula
C
6
H
8
O
PubChem ID
18554
Molweight
96.129
LogP
1.84
Atoms
15
Bonds
15
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
ethers
furans
heterocyclic compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 62337
MS-MS Spectrum 119038
MS-MS Spectrum 119037
MS-MS Spectrum 62338
MS-MS Spectrum 62339
MS-MS Spectrum 119039
1D-NMR-Links
1D NMR Spectrum 4597
1D NMR Spectrum 4471
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Penicillium Crustosum
compost
Fischer et al. 2005
Bacteria
Bacillus Amyloliquefaciens IN937a
n/a
Lee et al., 2012
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Penicillium Crustosum
yest extract sucrose
Tenax/GC-MS
no
Bacteria
Bacillus Amyloliquefaciens IN937a
Tryptic soy agar
SPME coupled with GC-MS
2-heptylfuran
Mass-Spectra
Compound Details
Synonymous names
BHTUFJXTYNLISA-UHFFFAOYSA-N
2-HEPTYLFURAN
AC1L2EGQ
2-n-Heptylfuran
2-heptyl furan
OR3222
7W55A39QXM
Z5515
CTK1C4906
VZ25010
UNII-7W55A39QXM
CCRIS 6901
LP001637
SCHEMBL1868812
DTXSID2063187
A823864
CC-11606
ACM3777717
Furan, 2-heptyl-
KB-25670
ZINC95619429
MFCD00051820
ZX-AT008776
C-04815
ST50827809
DB-021419
AKOS005266535
FT-0612487
FEMA No. 3401
I14-106628
MCULE-4055197722
3777-71-7
EINECS 223-236-8
IUPAC name
2-heptylfuran
SMILES
CCCCCCCC1=CC=CO1
Inchi
InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
Formula
C
1
1
H
1
8
O
PubChem ID
19603
Molweight
166.264
LogP
4.06
Atoms
30
Bonds
30
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
ethers
furans
mVOC Specific Details
MS-Links
MS-MS Spectrum 128623
MS-MS Spectrum 128622
MS-MS Spectrum 70173
MS-MS Spectrum 70175
MS-MS Spectrum 128624
MS-MS Spectrum 70174
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Trichoderma Atroviride
na
water damaged buildings, Belgium
Polizzi et al., 2012
Fungi
Trichoderma Viride
n/a
Hung et al., 2013
Fungi
Trichoderma Atroviride ATCC 74058
Stoppacher et al., 2010
Fungi
Trichoderma Atroviride
Crutcher et al., 2013
Fungi
Trichoderma Reesei
Crutcher et al., 2013
Fungi
Trichoderma Virens
Crutcher et al., 2013
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Trichoderma Atroviride
malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar
SPME-GC/MS
No
Fungi
Trichoderma Viride
Malt extract agar
Headspace volatiles collected with colomn/TD-GC-MS
Fungi
Trichoderma Atroviride ATCC 74058
Potato dextrose agar
HS-SPME/GC-MS
no
Fungi
Trichoderma Atroviride
Potato dextrose agar
HS-SPME/GC-MS
no
Fungi
Trichoderma Reesei
Potato dextrose agar
HS-SPME/GC-MS
no
Fungi
Trichoderma Virens
Potato dextrose agar
HS-SPME/GC-MS
no
2-methylfuran-3-thiol
Mass-Spectra
Compound Details
Synonymous names
RUYNUXHHUVUINQ-UHFFFAOYSA-N
fish thiol
Oxycyclothione 030
AC1L1RB0
PubChem7060
2-Methyl-3-furylmercaptan
5086AH
3-Mercapto-2-methylfuran
2-methyl-3-sulfanylfuran
2-Methyl-3-mercaptofuran
CTK1A1847
2-Methylfuran-3-thiol
M1847
2-Methyl-3-furylthiol
2-Methyl-3-furanthiol
2-methyl-3-furanethiol
NE10680
ACMC-209h3f
EBD16869
SCHEMBL691744
VZ24915
N21RW1N179
2-methyl-3-mercaptofuran;
CHEMBL3188696
SBB066361
AK307148
DTXSID5047118
3-mercapto-2-methylfuran;
LS-2923
HE130870
HE000303
2-Methyl-3-mercapto furan
2-methyl-3-mercapto-furan
2 -methyl-3-furanthiol
2-methyl-3-furan thiol
UNII-N21RW1N179
2-methylfuran-3-thiol;
2-Methyl, 3-furanethiol
2-methyl-furan-3-thiol
2-methyl-3-thiol-furane
2-Methyl-3-furanthiol;
ANW-26425
DSSTox_GSID_47118
AB1005968
TRA0062495
TRA0070599
2-Methyl-3-furanthiol, technical grade
DSSTox_CID_27118
MFCD00010280
DSSTox_RID_82127
RT-002078
DB-021329
KB-173655
ZINC100013729
I09-0074
Furan-3-thiol, 2-methyl
Q-100360
AKOS015897434
3-FURANTHIOL, 2-METHYL-
2-methyl-furan-3-thiol;
FT-0612940
FEMA No. 3188
Tox21_302709
NCGC00256792-01
EINECS 249-094-7
2-METHYL-3-FURANETHIOL,CA.90%,BALANCE OXIDIZE D COMPOUND
28588-74-1
CAS-28588-74-1
2-Methyl-3-furanthiol, 95%, FG
MolPort-003-932-945
IUPAC name
2-methylfuran-3-thiol
SMILES
CC1=C(C=CO1)S
Inchi
InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
Formula
C
5
H
6
OS
PubChem ID
34286
Molweight
114.16
LogP
1.41
Atoms
13
Bonds
13
H-bond Acceptor
0
H-bond Donor
1
Chemical Classification
thiols
sulfur compounds
ethers
furans
mVOC Specific Details
MS-Links
MS-MS Spectrum 149267
MS-MS Spectrum 86876
MS-MS Spectrum 149266
MS-MS Spectrum 149265
MS-MS Spectrum 86875
MS-MS Spectrum 86874
MS-Links
GC-MS Spectrum 2646
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Fungi
Tuber Aestivum
n/a
T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region
Cullere et al., 2010
Fungi
Tuber Melanosporum
n/a
T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region
Cullere et al., 2010
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Fungi
Tuber Aestivum
n/a
Gas chromatography-olfactometry (GC-O)
Fungi
Tuber Melanosporum
n/a
Gas chromatography-olfactometry (GC-O)
2-pentylfuran
Mass-Spectra
Compound Details
Synonymous names
YVBAUDVGOFCUSG-UHFFFAOYSA-N
2-PENTYLFURAN
AC1L2EGN
2-Amylfuran
6I0QAJ1JZQ
2-n-Pentylfuran
2-Pentylfuran, analytical standard
2-pentyl furan
PubChem7059
UNII-6I0QAJ1JZQ
ACMC-1CR6G
OR3220
Furan, pentyl-
4832AB
CTK1C2668
P1209
SCHEMBL221257
2-Pentylfuran (natural)
CCRIS 8807
HE019518
AK115089
LP031833
DTXSID9047679
LS-3020
CHEMBL3182720
A823863
ZINC1997926
2-(N-Pentyl)furan
CHEBI:89197
FCH1116834
DSSTox_GSID_47679
Furan, 2-pentyl-
CJ-30830
AX8077986
ANW-28727
AN-20963
ST2417147
AJ-32318
ACM3777693
MFCD00036497
ZINC01997926
ZX-AT008910
DSSTox_RID_82496
DSSTox_CID_27679
C-36409
KB-167424
ST51055140
DB-003325
RT-000871
W-106514
AKOS015913798
FEMA No. 3317
BRN 0107854
FT-0613265
2-Pentylfuran, >=98%, FG
Tox21_303542
NCGC00257337-01
3777-69-3
EINECS 223-234-7
64079-01-2
CAS-3777-69-3
MolPort-001-767-620
2-Pentylfuran, natural (US), >=97%, FG
5-17-01-00390 (Beilstein Handbook Reference)
IUPAC name
2-pentylfuran
SMILES
CCCCCC1=CC=CO1
Inchi
InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
Formula
C
9
H
1
4
O
PubChem ID
19602
Molweight
138.21
LogP
3.17
Atoms
24
Bonds
24
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
Furans
ethers
heterocyclic compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 64323
MS-MS Spectrum 121450
MS-MS Spectrum 121451
MS-MS Spectrum 64325
MS-MS Spectrum 64324
MS-MS Spectrum 121449
1D-NMR-Links
1D NMR Spectrum 4137
1D NMR Spectrum 3868
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Aspergillus Versicolor
Schleibinger et al.,2005
Fungi
Chaetomium Globosum
Schleibinger et al.,2005
Fungi
Eurotium Amstelodami
Schleibinger et al.,2005
Fungi
Penicillium Brevicompactum
Schleibinger et al.,2005
Fungi
Chaetomium Globosum
wild strains
Schleibinger et al. 2005
Fungi
Eurotium Amstelodami
wild strains
Schleibinger et al. 2005
Fungi
Penicillium Brevicompactum
wild strains
Schleibinger et al. 2005
Fungi
Xylaria Sp.
na
Haematoxylon brasiletto, Morelos, Mexico
Sánchez-Ortiz et al., 2016
Fungi
n/a
Fortywoodland of the Basilicata region
Mauriello et al., 2004
Fungi
Matsui et al. 2003
Fungi
None
Fortywoodland of the Basilicata region
Mauriello et al., 2004
Fungi
Armillaria Mellea
n/a
Mueller et al., 2013
Fungi
Aspergillus Flavus NRRL 18543
n/a
Beck et al., 2012
Fungi
Aspergillus Flavus NRRL 25347
n/a
Beck et al., 2012
Fungi
Aspergillus Niger NRRL 326
n/a
Beck et al., 2012
Fungi
Aspergillus Parasiticus NRRL 5862
n/a
Beck et al., 2012
Fungi
Fusarium Graminearum 15AcDON
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON 1001ta
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON ZFR 29
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_4
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_8
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_9
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1002t
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 11791
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1509
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 8046
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL38369
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL6394
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 15
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 37
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 51
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV 357
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 119
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 23
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 48
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_8
n/a
Busko et al., 2014
Fungi
Ganoderma Lucidum
na
saprophytic on deciduous trees
Ziegenbein et al., 2006
Fungi
Laccaria Bicolor
n/a
Mueller et al., 2013
Fungi
Paxillus Involutus MAJ
n/a
Mueller et al., 2013
Fungi
Paxillus Involutus NAU
n/a
Mueller et al., 2013
Fungi
Penicillium Glabrum NRRL 766
n/a
Beck et al., 2012
Fungi
Pholiota Squarrosa
n/a
Mueller et al., 2013
Fungi
Pleurotus Cystidiosus
na
na
Usami et al., 2014
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
na
Usami et al., 2014
Fungi
Rhizopus Stolonifer NRRL 54667
n/a
Beck et al., 2012
Fungi
Spongiporus Leucomallellus
na
saprophytic mostly on wet, old pines
Ziegenbein et al., 2006
Fungi
Stropharia Rugosoannulata
n/a
Mueller et al., 2013
Fungi
Trichoderma Viride
Hung et al., 2013
Fungi
Tuber Aestivum
n/a
Fortywoodland of the Basilicata region
Mauriello et al., 2004
Fungi
Tuber Excavatum
n/a
Fortywoodland of the Basilicata region
Mauriello et al., 2004
Fungi
Tuber Melanosporum
n/a
Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).
Diaz et al., 2003
Fungi
Verticillium Longisporum
n/a
Mueller et al., 2013
Fungi
Fomitopsis Pinicola
na
Germany
Rösecke et al., 2000
Fungi
Trametes Suaveolens
na
near Zachersmühle, Göppingen, southern Germany
Rösecke et al., 2000
Fungi
Tuber Aestivum
na
Tarsul (as normal forest); Daix (man made orchard)
Molinier et al., 2015
Bacteria
Bacillus Amyloliquefaciens IN937a
n/a
Lee et al., 2012
Bacteria
Bacillus Subtilis GB03
n/a
Lee et al., 2012
Bacteria
Paenibacillus Polymyxa E681
n/a
Lee et al., 2012
Fungi
Trichoderma Atroviride ATCC 74058
Stoppacher et al., 2010
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Aspergillus Versicolor
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Chaetomium Globosum
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Eurotium Amstelodami
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Penicillium Brevicompactum
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Chaetomium Globosum
ingrain (woodchip)
SIM/GCMS / Tenax
no
Fungi
Eurotium Amstelodami
ingrain (woodchip)
SIM/GCMS / Tenax
no
Fungi
Penicillium Brevicompactum
ingrain (woodchip)
SIM/GCMS / Tenax
no
Fungi
Xylaria Sp.
PDA medium
SPME-GC/MS
Yes
Fungi
n/a
microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi
no
Fungi
None
microextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)
No
Fungi
Armillaria Mellea
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Aspergillus Flavus NRRL 18543
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Flavus NRRL 25347
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Niger NRRL 326
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Parasiticus NRRL 5862
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Fusarium Graminearum 15AcDON
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON 1001ta
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON ZFR 29
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_4
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_9
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1002t
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 11791
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1509
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 8046
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL38369
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL6394
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 15
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 37
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 51
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV 357
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 119
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 23
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 48
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Ganoderma Lucidum
na
GC/MS
No
Fungi
Laccaria Bicolor
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Paxillus Involutus MAJ
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Paxillus Involutus NAU
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Penicillium Glabrum NRRL 766
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Pholiota Squarrosa
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Pleurotus Cystidiosus
na
GC/MS, GC-O, AEDA
No
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
GC/MS, GC-O, AEDA
No
Fungi
Rhizopus Stolonifer NRRL 54667
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Spongiporus Leucomallellus
na
GC/MS
No
Fungi
Stropharia Rugosoannulata
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Trichoderma Viride
Malt extract agar
Headspace volatiles collected with colomn/TD-GC-MS
Yes
Fungi
Tuber Aestivum
n/a
microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi
Tuber Excavatum
n/a
microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi
Tuber Melanosporum
n/a
Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi
Verticillium Longisporum
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Fomitopsis Pinicola
na
GC/MS
No
Fungi
Trametes Suaveolens
na
GC/MS
No
Fungi
Tuber Aestivum
na
SPME-GC/MS
No
Bacteria
Bacillus Amyloliquefaciens IN937a
Tryptic soy agar
SPME coupled with GC-MS
Bacteria
Bacillus Subtilis GB03
Tryptic soy agar
SPME coupled with GC-MS
Bacteria
Paenibacillus Polymyxa E681
Tryptic soy agar
SPME coupled with GC-MS
Fungi
Trichoderma Atroviride ATCC 74058
Potato dextrose agar
HS-SPME/GC-MS
no
2-phenylfuran
Compound Details
Synonymous names
GCXNJAXHHFZVIM-UHFFFAOYSA-N
GCXNJAXHHFZVIM-UHFFFAOYSA-
2-phenylfuran
AC1LAS78
2-Phenyl-furan
8800AA
PubChem19994
Furan, phenyl-
CTK0H3817
SCHEMBL162083
HE025514
FCH840805
BC214498
ZINC3133972
AX8078189
Furan, 2-phenyl-
ANW-71940
AK-60897
AJ-44574
DTXSID00333986
KB-25937
AC-18802
MFCD00234628
TC-160685
ACM17113336
ST24041016
AKOS006273368
FT-0082088
FT-0601934
I14-22149
17113-33-6
InChI=1/C10H8O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H
IUPAC name
2-phenylfuran
SMILES
C1=CC=C(C=C1)C2=CC=CO2
Inchi
InChI=1S/C10H8O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H
Formula
C
1
0
H
8
O
PubChem ID
519363
Molweight
144.173
LogP
2.68
Atoms
19
Bonds
20
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
Furans
ethers
benzenoids
mVOC Specific Details
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Trichoderma Atroviride
Crutcher et al., 2013
Fungi
Trichoderma Reesei
Crutcher et al., 2013
Fungi
Trichoderma Virens
Crutcher et al., 2013
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Trichoderma Atroviride
Potato dextrose agar
HS-SPME/GC-MS
no
Fungi
Trichoderma Reesei
Potato dextrose agar
HS-SPME/GC-MS
no
Fungi
Trichoderma Virens
Potato dextrose agar
HS-SPME/GC-MS
no
2,3,5-trimethylfuran
Compound Details
Synonymous names
NJXZFRUNHWKHEC-UHFFFAOYSA-N
AC1LAPIQ
CTK0I0305
SCHEMBL182910
2,3,5-Trimethylfuran
FCH921111
HE133706
ZINC2518855
X-4175
GEO-02420
DTXSID10146923
SCHEMBL10768398
MFCD03931179
ZINC02518855
2,3,5-Trimethylfuran #
AKOS005257003
FT-0609458
Furan, 2,3,5-trimethyl-
10504-04-8
MolPort-002-498-112
IUPAC name
2,3,5-trimethylfuran
SMILES
CC1=CC(=C(O1)C)C
Inchi
InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
Formula
C
7
H
1
0
O
PubChem ID
517859
Molweight
110.156
LogP
2.03
Atoms
18
Bonds
18
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
ethers
furans
mVOC Specific Details
MS-Links
MS-MS Spectrum 102097
MS-MS Spectrum 102096
MS-MS Spectrum 167830
MS-MS Spectrum 167831
MS-MS Spectrum 102098
MS-MS Spectrum 167829
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Brock et al. 2011
Fungi
Aspergillus Candidus
compost
Fischer et al. 2008
Fungi
Paecilomyces Variotii
compost
Fischer et al. 2008
Fungi
Penicillium Crustosum
compost
Fischer et al. 2008
Fungi
Penicillium Cyclopium
compost
Fischer et al. 2008
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
no
Fungi
Aspergillus Candidus
yest extract sucrose
Tenax/GC-MS
no
Fungi
Paecilomyces Variotii
yest extract sucrose
Tenax/GC-MS
no
Fungi
Penicillium Crustosum
yest extract sucrose
Tenax/GC-MS
no
Fungi
Penicillium Cyclopium
yest extract sucrose
Tenax/GC-MS
no
2,5-dimethylfuran
Mass-Spectra
Compound Details
Synonymous names
GSNUFIFRDBKVIE-UHFFFAOYSA-N
ACMC-1AVPG
DR5HL9OJ7Y
AC1L1Z7R
UNII-DR5HL9OJ7Y
2,5-Dimethylfurane
2,5-DIMETHYLFURAN
KSC357C4R
KM0638
NSC6220
D0725
CTK2F7148
OR28939
AM81813
STR09233
2,5-Dimethyl furane
2.5-dimethyl furan
CCRIS 3158
2,5-dimethyl-furan
2,5-Dimethyl furan
DTXSID7022093
HE027522
HE135432
HE135433
CHEMBL1416448
LS-1503
NSC 6220
NSC-6220
PS-9347
ZINC1693339
CHEBI:89052
DSSTox_CID_2093
AN-46837
ANW-34277
TL8004196
DSSTox_GSID_22093
CJ-06536
KB-18014
ZINC01693339
MFCD00003250
DSSTox_RID_76486
RTR-037326
KB-165395
AI3-21212
DB-015920
TR-037326
I14-7193
Q-100722
AKOS000120051
2,5-Dimethylfuran, >=99%
I14-1106
FT-0655041
2,5-Dimethylfuran, 99%
FT-0610466
Furan, 2,5-dimethyl-
WLN: T5OJ B1 E1
I14-22175
Tox21_202472
2,5-Dimethyl-13C2-furan
625-86-5
F0001-1679
NCGC00260021-01
NCGC00091694-01
MCULE-2776549830
CAS-625-86-5
EINECS 210-914-3
MolPort-016-633-152
InChI=1/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H
IUPAC name
2,5-dimethylfuran
SMILES
CC1=CC=C(O1)C
Inchi
InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
Formula
C
6
H
8
O
PubChem ID
12266
Molweight
96.129
LogP
1.51
Atoms
15
Bonds
15
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
ethers
furans
mVOC Specific Details
MS-Links
MS-MS Spectrum 8408
MS-MS Spectrum 8409
MS-MS Spectrum 8410
MS-MS Spectrum 15080
MS-MS Spectrum 15081
MS-MS Spectrum 15082
1D-NMR-Links
1D NMR Spectrum 3245 - Varian 25.16 MHz 13C NMR
1D NMR Spectrum 2548 - JEOL 300 MHz 1H NMR
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Sunesson et al. 1995
Fungi
Paecilomyces Variotii Bain
na
compost, soils, food products
Sunesson et al., 1995
Fungi
Penicillium Commune Pitt
na
in dry-cured meat products, cheese
Sunesson et al., 1995
Fungi
Penicillium Crustosum
compost
Fischer et al. 2006
Fungi
Penicillium Cyclopium
compost
Fischer et al. 2006
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
no
Fungi
Paecilomyces Variotii Bain
DG18
GC/MS
Fungi
Penicillium Commune Pitt
DG18
GC/MS
Fungi
Penicillium Crustosum
yest extract sucrose
Tenax/GC-MS
no
Fungi
Penicillium Cyclopium
yest extract sucrose
Tenax/GC-MS
no