Results for:
PubChem ID: 7361

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
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
Molweight98.101
LogP0.27
Atoms13
Bonds13
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationFuran 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
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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Sp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
Fungi Dickschat et al. 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella Sp.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
Fungi no