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Cas Database

Name	Methyl 2-furoate	EINECS	210-254-6
CAS No.	611-13-2	Density	1.145 g/cm³
PSA	39.44000	LogP	1.06620
Solubility	slightly soluble in water	Melting Point	36oC
Formula	C₆H₆O₃	Boiling Point	181.3 °C at 760 mmHg
Molecular Weight	126.112	Flash Point	58.6 °C
Transport Information	UN 2810 6.1/PG 3	Appearance	Colorless to light yellow liquid
Safety	26-36-36/37/39	Risk Codes	36/37/38-21/22-22
Molecular Structure		Hazard Symbols	Xn, Xi
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;	Article Data	158

Methyl 2-furoate Synthetic route

: 98-01-1
furfural

: 67-56-1
methanol

: 611-13-2
2-furoic acid methyl ester

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

: 110-00-9
furan

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

Methyl 2-furoate Chemical Properties

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

Methyl 2-furoate Uses

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

Methyl 2-furoate 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.

Methyl 2-furoate Consensus Reports

Reported in EPA TSCA Inventory.

Methyl 2-furoate Safety Profile

Safety Information of Methyl furoate (CAS NO.611-13-2):
Hazard Codes: Harmful Xn, Irritant Xi
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.

Methyl 2-furoate 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 .

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