ChemicalBook CAS DataBase List 534-22-5

534-22-5

Name	2-Methylfuran
CAS	534-22-5
EINECS(EC#)	208-594-5
Molecular Formula	C5H6O
MDL Number	MFCD00003248
Molecular Weight	82.1
MOL File	534-22-5.mol

Chemical Properties

Appearance	colorless or light yellow liquid
Melting point	-88.7 °C
Boiling point	63-66 °C (lit.)
density	0.91 g/mL at 25 °C(lit.)
vapor density	2.8 (vs air)
vapor pressure	139 mm Hg ( 20 °C)
FEMA	4179
refractive index	n20/D 1.433(lit.)
Fp	−8 °F
storage temp.	Flammables area
solubility	3000mg/l
form	Liquid
color	Clear yellow
Odor	at 1.00 % in propylene glycol. ethereal acetone chocolate
biological source	synthetic
Odor Type	chocolate
Water Solubility	0.3 g/100 mL (20 ºC)
FreezingPoint	-88.68℃
JECFA Number	1487
BRN	103733
Henry's Law Constant	1.5×10^-3 mol/(m³Pa) at 25℃, Wieland et al. (2015)
Stability:	Volatile
InChI	1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey	VQKFNUFAXTZWDK-UHFFFAOYSA-N
SMILES	Cc1ccco1
LogP	1.79
CAS DataBase Reference	534-22-5(CAS DataBase Reference)
NIST Chemistry Reference	Furan, 2-methyl-(534-22-5)
EPA Substance Registry System	534-22-5(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS06
Signal word	Danger
Hazard statements	H225-H301-H330
Precautionary statements	P210-P233-P240-P241-P242-P304+P340+P310
Hazard Codes	F,T
Risk Statements	R11:Highly Flammable. R23:Toxic by inhalation. R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S33:Take precautionary measures against static discharges . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S7/9:Keep container tightly closed and in a well-ventilated place . S9:Keep container in a well-ventilated place . less more
RIDADR	UN 2301 3/PG 2
WGK Germany	1
RTECS	LU2625000
TSCA	Yes
REACH Registrations	Active
HazardClass	3
PackingGroup	II
HS Code	29321900
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 2 Inhalation Acute Tox. 3 Oral Flam. Liq. 2
Safety Profile	Poison by ingestion. Moderately toxic by inhalation. An eye irritant. Mutation data reported. Very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. less more
Toxicity	LD50 orally in Rabbit: 167 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

A clear colorless liquid with an ethereal odor. Flash point-22°F. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.

Reactivity Profile

2-METHYLFURAN(534-22-5) is incompatible with strong acids and strong bases. May react vigorously with oxidizing materials .

Air & Water Reactions

Highly flammable. Insoluble in water.

Hazard

Highly flammable, dangerous fire andexplosion risk. Irritant.

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Occurrence

Reported found in cooked beef, bread, butter, chicken, cocoa, coffee, currant, mint, tea and tomato.

Definition

ChEBI: 2-methylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. It has a role as a human urinary metabolite, a hepatotoxic agent, a fuel, a flavouring agent and a plant metabolite. It is a member of furans and a volatile organic compound.

Aroma threshold values

Medium strength odor, chocolate type; recommend smelling in a 1.00% solution or less

Purification Methods

Wash it with acidified saturated ferrous sulfate solution (to remove peroxides), separate, dry with CaSO4 or CaCl2, and fractionally distil it from KOH immediately before use. To reduce the possibility of spontaneous polymerisation, addition of about one-third of its volume of heavy mineral oil to 2-methylfuran prior to distillation has been recommended. [Beilstein 17 H 36, 17 I 18, 17 II 39, 17 III/IV 265.]

Material Safety Data Sheet(MSDS)

Questions And Answer

Description
2-methylfuran is a flammable, water soluble liquid with the potential to be used as an alternative biofuel. It has become very attractive and promising due to the recent breakthrough in its production method through dehydration and hydrogenolysis of fructose or cellulose. This indicates the prospect of industrial mass production of 2-methylfuran and its derivative 2, 5-dimethylfuran. The 2-methylfuran and 2, 5-dimethylfuran have now been considered as a potential choice of alternative fuel pathway for spark ignition (SI) engines because of their similarities to gasoline. Therefore, as an alternative bio-fuels, it presents a potential way to provide sustainable-renewable sources and tackle the severe issue of fossil fuel depletion and global warming.
;
Chemical Properties
2-Methylfuran is a flammable, water-soluble liquid with a chocolate odor, found naturally in Myrtle and Dutch Lavender used as a FEMA GRAS (Generally Recognized As Safe) flavoring substance, with the potential for use in alternative fuels. 2-Methylfuran is expected to gain traction in the near future as it is primarily used in pharmaceuticals industry. It is a light yellowish green volatile organic compound with an ethereal odor and is also known as sylvan. 2-Methylfuran changes its shading to black or yellow when exposed to sunlight. It is highly flammable and hence is stored in a ventilated, cool dry place far from heat & fire. ;
Uses
2-Methylfuran is widely used in manufacturing of drugs like atropine, sodium acetate, furadantine, anisodamine and thiamine furan. In pharmaceuticals industry, synthesis of vitamin B1 is done using 2-Methylfuran. It is less dense than water but its vapors are heavier when contrastedwith air. 2-Methylfuran also finds application as a tool for screening of lung cancer and production of anti-malarial drug like chloroquine. It is also used to produce methyl furfural, aliphatic compounds and sulfur and nitrogen heterocycles. Moreover, 2-Methylfuran is also used for making pesticides, flavors or fragrances and has narcotic effect. ;
Preparation
2-Methylfuran is an article of commerce (chemical intermediate) and is normally manufactured by catalytic hydrogenolysis of furfural alcohol or via a hydrogenation-hydrogenolysis sequence from furfural in the vapor phase.;
References
Wang, Chongming, et al. "Combustion characteristics and emissions of 2-methylfuran compared to 2, 5-dimethylfuran, gasoline and ethanol in a DISI engine." Fuel 103 (2013): 200-211.
Ma, Xiao, et al. "Laminar burning characteristics of 2-methylfuran and isooctane blend fuels." Fuel 116 (2014): 281-291. ;

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534-22-5

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

General Description

Reactivity Profile

Air & Water Reactions

Hazard

Health Hazard

Occurrence

Definition

Aroma threshold values

Purification Methods

Material Safety Data Sheet(MSDS)

Questions And Answer

Description

Chemical Properties

Uses

Preparation

References

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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