Results for:
PubChem ID: 7361

Furan-2-ylmethanol

Mass-Spectra

Compound Details

Synonymous names
FURFURYL ALCOHOL
98-00-0
2-Furanmethanol
2-Furylmethanol
furan-2-ylmethanol
2-Furancarbinol
Furfural alcohol
2-Furylcarbinol
2-Furanylmethanol
Furfuranol
2-Furfuryl alcohol
Furfurylalcohol
Furfuralcohol
5-Hydroxymethylfuran
2-(Hydroxymethyl)furan
Furyl alcohol
2-Hydroxymethylfuran
Furylcarbinol
alpha-Furylcarbinol
Furan-2-yl-methanol
2-Furfurylalkohol
Furfurylcarb
(2-furyl)methanol
Methanol, (2-furyl)-
2-hydroxymethylfurane
25212-86-6
2-Furane-methanol
Furanmethanol
Furylcarbinol (VAN)
NCI-C56224
2-furanemethanol
FEMA No. 2491
Furan-2-methanol
NSC 8843
(furan-2-yl)methanol
CCRIS 2922
HSDB 711
DTXSID2025347
CHEBI:207496
EINECS 202-626-1
Qo furfuryl alcohol
UNII-D582054MUH
BRN 0106291
Furfurylalcohol-d2
.alpha.-Furylcarbinol
alpha-Furfuryl alcohol
AI3-01171
D582054MUH
NSC-8843
.alpha.-Furfuryl alcohol
DTXCID105347
EC 202-626-1
5-17-03-00338 (Beilstein Handbook Reference)
Furfuryl alcohol, 98%
(2-FURYL)-METHANOL (FURFURYLALCOHOL)
FURFURYL ALCOHOL (IARC)
FURFURYL ALCOHOL [IARC]
2-Furfurylalkohol [Czech]
CAS-98-00-0
FURFURYLALCOHOLRESIN
UN2874
2-Hydroxymethylfuran; 2-Furylmethanol; 2-Furfurylalcohol
furylmethanol
2-Furfurylalcohol
alpha -Furylcarbinol
MFCD00003252
PFFA
(2-furyl)-Methanol
Furfuryl alcohol [UN2874] [Poison]
2-Hydroxymethyl-Furan
alpha -Furfuryl alcohol
Furfuryl alcohol, 8CI
2- FURANCARBINOL
2- FURANYLMETHANOL
2-Furfurylalkohol(CZECH)
Epitope ID:136037
furfuryl alcohol (furfurol)
WLN: T5OJ B1Q
CHEM-REZ 200
2-Furane-methanol (furfurol)
FURFURYL ALCOHOL [MI]
FURFURYL ALCOHOL [FCC]
CHEMBL308187
FURFURYL ALCOHOL [FHFI]
FURFURYL ALCOHOL [HSDB]
CHEBI:53371
FEMA 2491
Furfuryl alcohol, >=97%, FG
NSC8843
2-Furanmethanol (furfuryl alcohol)
2-Furylmethanol (ACD/Name 4.0)
STR01021
Tox21_202102
Tox21_303093
Furfuryl alcohol, analytical standard
AKOS000119178
AM81811
MCULE-4977977402
UN 2874
Furfuryl alcohol [UN2874] [Poison]
Furfuryl alcohol, natural, >=95%, FG
NCGC00249166-01
NCGC00256987-01
NCGC00259651-01
93793-62-5
DB-016149
DB-254877
F0076
NS00003728
EN300-19106
C20441
Q27335
A845784
J-521401
F0001-2310
Z104472794
InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H
Microorganism:

Yes

IUPAC namefuran-2-ylmethanol
SMILESC1=COC(=C1)CO
InchiInChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
FormulaC5H6O2
PubChem ID7361
Molweight98.1
LogP0.3
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic alcohols alcohols heterocyclic compounds aromatic compounds
CHEBI-ID207496
Supernatural-IDSN0436308

mVOC Specific Details

Boiling Point
DegreeReference
171 °C peer reviewed
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
PressureReference
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
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
ProkaryotaEscherichia ColiNANALawal et al. 2018a
ProkaryotaStaphylococcus AureusNANALawal et al. 2018a
ProkaryotaPaenibacillus Ehimensisantifungal activity against phytopathogenic fungi Colletotrichum gloeosporioides 26Bcoral reefs of Providencia and Santa CatalinaGuio et al. 2020
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
EukaryotaFusarium VerticillioidesNADickschat et al. 2011
ProkaryotaPseudomonas Vranovensisnarhizosphere 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
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno
ProkaryotaEscherichia ColiASMTD/GC-MSno
ProkaryotaStaphylococcus AureusASMTD/GC-MSno
ProkaryotaPaenibacillus EhimensisLB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaNannocystis Exedensn/an/ano
EukaryotaFusarium Verticillioidesno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD 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
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno