Results for:
PubChem ID: 7362

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
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
Molweight96.085
LogP0.75
Atoms11
Bonds11
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationFuran 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
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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Sordidicola LMG 22029n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaPseudomonas Aeruginosa PUPa3n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
FungiFusarium Culmorum PVnasandy dune soil, NetherlandsSchmidt et al., 2016
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
Fungi Kikuchi et al. 1983
FungiCeratocystis Sp.Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.Stotzky and Schenk, 1976
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiPuccinia Graminis Var. TriticiProbably an active stimulator of germinatinon of uredospores of Puccinia graminis.Stotzky and Schenk, 1976
FungiThielaviopsis BasicolaProbably an active stimulator of germinatinon of uredospores of Puccinia graminis.Stotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Cereus B-569MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sordidicola LMG 22029AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaLB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCupriavidus Necator LMG 1199MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Coli OP50MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPandoraea Norimbergensis LMG 18379MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Aeruginosa PUPa3MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas ChlororaphisMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida ISOfMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Entomophilia A1MO2MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStenotrophomonas Rhizophilla Ep10-p69MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
FungiFusarium Culmorum PVwater agar supplied with artificial root exudatesGC/MS-Q-TOFNo
FungiTuber Aestivumn/an/a
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
Fungi no
FungiCeratocystis Sp.n/an/a
FungiFomitopsis PinicolanaGC/MSNo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiPuccinia Graminis Var. Triticin/an/a
FungiThielaviopsis Basicolan/an/a