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Merck
CN

V000626

Furfural

98.0%

Synonym(s):

2-Furaldehyde, Furan-2-carboxaldehyde

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About This Item

Empirical Formula (Hill Notation):
C5H4O2
CAS Number:
98-01-1
Molecular Weight:
96.08
EC Number:
202-627-7
PubChem Substance ID:
329828134
MDL number:
MFCD00003229
Beilstein/REAXYS Number:
105755

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InChI

1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H

InChI key

HYBBIBNJHNGZAN-UHFFFAOYSA-N

SMILES string

[H]C(=O)c1ccco1

grade

synthesis grade

vapor density

3.31 (vs air)

vapor pressure

13.5 mmHg ( 55 °C)

assay

98.0%

autoignition temp.

599 °F

expl. lim.

19.3 %

refractive index

n20/D 1.525 (lit.)

bp

162 °C (lit.)

mp

−36 °C (lit.)

density

1.16 g/mL at 25 °C (lit.)

Quality Level

100

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Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Aquatic Chronic 3 - Carc. 2 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

136.4 °F - closed cup

flash_point_c

58 °C - closed cup

Regulatory Information

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D B Jones et al.
The Journal of chemical physics, 143(18), 184310-184310 (2015-11-17)
The He(i) photoelectron spectrum of furfural has been investigated, with its vibrational structure assigned for the first time. The ground and excited ionized states are assigned through ab initio calculations performed at the outer-valence Green's function level. Triple differential cross
Jean-Paul Lange et al.
ChemSusChem, 5(1), 150-166 (2012-01-04)
Furfural offers a promising, rich platform for lignocellulosic biofuels. These include methylfuran and methyltetrahydrofuran, valerate esters, ethylfurfuryl and ethyltetrahydrofurfuryl ethers as well as various C(10)-C(15) coupling products. The various production routes are critically reviewed, and the needs for improvements are
T B Adams et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 35(8), 739-751 (1997-08-01)
The Expert Panel of the Flavor and Extract Manufacturers' Association (FEMA) has assessed the safety of furfural for its continued use as a flavour ingredient. The safety assessment takes into account the current scientific information on exposure, metabolism, pharmacokinetics, toxicology
Reetta Karinen et al.
ChemSusChem, 4(8), 1002-1016 (2011-07-06)
Furfurals are important intermediates in the chemical industry. They are typically produced by homogeneous catalysis in aqueous solutions. However, heterogeneously catalyzed processes would be beneficial in view of the principles of green chemistry: the elimination of homogeneous mineral acids makes
Tim Ståhlberg et al.
ChemSusChem, 4(4), 451-458 (2011-01-29)
The synthesis of 5-(hydroxymethyl)furfural (HMF) in ionic liquids is a field that has grown rapidly in recent years. Unique dissolving properties for crude biomass in combination with a high selectivity for HMF formation from hexose sugars make ionic liquids attractive
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