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611-13-2

Basic Information
CAS No.: 611-13-2
Name: Methyl 2-furoate
Article Data: 158
Molecular Structure:
Molecular Structure of 611-13-2 (Methyl 2-furoate)
Formula: C6H6O3
Molecular Weight: 126.112
Synonyms: 2-Furoicacid, methyl ester (6CI,7CI,8CI);2-(Methoxycarbonyl)furan;Methyl2-furancarboxylate;Methyl 2-furylcarboxylate;Methylpyromucate;Methyl a-furoate;NSC 35551;Pyromucic acid methyl ester;Methyl furoate;
EINECS: 210-254-6
Density: 1.145 g/cm3
Melting Point: 36oC
Boiling Point: 181.3 °C at 760 mmHg
Flash Point: 58.6 °C
Solubility: slightly soluble in water
Appearance: Colorless to light yellow liquid
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-21/22-22
Safety: 26-36-36/37/39
Transport Information: UN 2810 6.1/PG 3
PSA: 39.44000
LogP: 1.06620
Synthetic route
98-01-1

furfural

67-56-1

methanol

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
With oxygen at 120℃; under 3750.38 Torr; for 12h; Temperature; Reagent/catalyst; Autoclave;99.9%
at 100℃; under 4137.29 - 15514.9 Torr; for 3h; Temperature; Pressure;98%
With dihydrogen peroxide; Al1.3SiW12O40 at 80 - 250℃; Reagent/catalyst;96%
88-14-2

2-furanoic acid

4525-33-1

dimethyl dicarbonate

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
magnesium(II) perchlorate In nitromethane at 40℃; for 16h;99%
With dmap In tetrahydrofuran for 88h;97%
67-56-1

methanol

88-14-2

2-furanoic acid

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
With phosphotungstic acid for 4h; Reflux;98%
With sulfuric acid for 4h; Reflux;93%
With potassium carbonate In ethyl acetate for 1.5h; Heating;92%
67-56-1

methanol

527-69-5

2-furancarbonyl chloride

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
at 20℃; for 24h;97%
for 1h; Heating; Yield given;
With triethylamine at 20℃; for 1h; Inert atmosphere;
98-00-0

(2-furyl)methyl alcohol

67-56-1

methanol

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
With dihydrogen peroxide for 3h; Irradiation;96%
With PdCoBi/C; oxygen; potassium carbonate at 60℃; under 760.051 Torr; for 14h; Schlenk technique; Green chemistry;96%
With oxygen at 20℃; for 12h; Irradiation;93%
67-56-1

methanol

56-23-5

tetrachloromethane

A

611-13-2

2-furoic acid methyl ester

B

4282-32-0

furan-2,5-dicarboxylic acid dimethyl ester

Conditions
ConditionsYield
With copper(l) iodide at 120℃; for 6h; Inert atmosphere; Autoclave;A 95%
B 5%
With copper(l) iodide at 140℃; for 0.5h; Inert atmosphere; Autoclave;A 60%
B 40%
88-14-2

2-furanoic acid

74-88-4

methyl iodide

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
With IRA 904 In acetonitrile 2.) 25 deg C, 10 h;94%
88-14-2

2-furanoic acid

616-38-6

carbonic acid dimethyl ester

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
With sulfuric acid at 80 - 85℃; for 7.5h; Neat (no solvent);92.4%
88-14-2

2-furanoic acid

108-59-8

malonic acid dimethyl ester

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
With potassium bromide In N,N-dimethyl-formamide at 130℃; for 12h; Schlenk technique; chemoselective reaction;90%
67-56-1

methanol

1394836-09-9

3-(furan-2-carbonyl)oxazolidin-2-one

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0) In toluene at 25℃; for 12h; Sealed tube; Inert atmosphere; Green chemistry; chemoselective reaction;88%
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Chemistry

Molecular Structure of Methyl furoate (CAS NO.611-13-2):

IUPAC Name: Methyl furan-2-carboxylate 
Molecular Formula: C6H6O3
Molecular Weight: 126.11
EINECS: 210-254-6
FEMA: 2703 
Index of Refraction: 1.462
Molar Refractivity: 30.32 cm3
Molar Volume: 110.1 cm3
Surface Tension: 34 dyne/cm
Density: 1.145 g/cm3
Flash Point: 58.6 °C
Enthalpy of Vaporization: 41.76 kJ/mol
Boiling Point: 181.3 °C at 760 mmHg
Vapour Pressure: 0.858 mmHg at 25 °C
Water Solubility: slightly soluble
Sensitive: Lachrymatory
Appearance: Colorless to light yellow liquid
Canonical SMILES: COC(=O)C1=CC=CO1
InChI: InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey: HDJLSECJEQSPKW-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent; Skin / Eye Irritant
Product Categories: Aromatic Esters; Furan & Benzofuran; ester Flavor

Uses

 Methyl furoate (CAS NO.611-13-2) can be used in organic synthesis, also used as a solvent.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 1250mg/kg (1250mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 869, 1979.
rat LD50 oral 300mg/kg (300mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0559247,
rat LDLo intraperitoneal 75mg/kg (75mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of Methyl furoate (CAS NO.611-13-2):
Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 36/37/38-21/22-22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R21/22:Harmful in contact with skin and if swallowed. 
R22:Harmful if swallowed.
Safety Statements: 26-36-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: LV1950000
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
Poison by intraperitoneal route. A skin irritant and lachrymator. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Methyl furoate (CAS NO.611-13-2), its Synonyms are 2-(Methoxycarbonyl)furan ; 2-Furancarboxylic acid, methyl ester ; 2-Furoic acid, methyl ester ; Methyl 2-furancarboxylate ; Methyl 2-furoate ; Methyl 2-furylcarboxylate ; Methyl pyromucate ; Pyromucic acid methyl ester .