ChemicalBook CAS DataBase List 611-13-2

611-13-2

Name	Methyl 2-furoate
CAS	611-13-2
EINECS(EC#)	210-254-6
Molecular Formula	C6H6O3
MDL Number	MFCD00003236
Molecular Weight	126.11
MOL File	611-13-2.mol

Synonyms

2-FURANCARBOXYLIC ACID METHYL ESTER 2-FUROIC ACID METHYL ESTER 2-METHYLFUROATE FEMA 2703 FURAN-2-CARBOXYLIC ACID METHYL ESTER FURANCARBOXYLIC ACID METHYL ESTER MEFAT METHYL 2-FURANCARBOXYLATE METHYL 2-FUROATE METHYL FURAN-2-CARBOXYLATE METHYL PYROMUCATE PYROMUCIC ACID METHYL ESTER RARECHEM AL BF 0007 Furan-alpha-carboxylic acid methyl ester furan-alpha-carboxylicacidmethylester Methyl alpha-furoate METHYL 2-FUROATE 98+% 2-FURANCARBOXYLIC ACID METHYL ESTER 99+% 2-Furanecarboxylicacidmethylester Methyl furan-2-carboxylate, Methyl pyromucate

Chemical Properties

Appearance	Colorless to light yellow liqui
Boiling point	181 °C (lit.)
density	1.179 g/mL at 25 °C(lit.)
FEMA	2703
refractive index	n20/D 1.487(lit.)
Fp	164 °F
storage temp.	Inert atmosphere,Room Temperature
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Liquid
color	Clear pale yellow to brown
Odor	fruity, mushroom-like odor
biological source	synthetic
Odor Type	fungal
Water Solubility	slightly soluble
Sensitive	Lachrymatory
Detection Methods	GC,NMR
JECFA Number	746
Merck	14,4307
BRN	111110
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey	HDJLSECJEQSPKW-UHFFFAOYSA-N
SMILES	COC(=O)c1ccco1
LogP	0.99
Uses	Solvent, organic synthesis. less more
CAS DataBase Reference	611-13-2(CAS DataBase Reference)
NIST Chemistry Reference	Methyl 2-furoate(611-13-2)
EPA Substance Registry System	611-13-2(EPA Substance)

Safety Data

Symbol(GHS)	GHS06
Signal word	Danger
Hazard statements	H301-H312-H315-H319-H335
Precautionary statements	P280-P301+P310+P330-P302+P352+P312-P305+P351+P338
Hazard Codes	Xn,Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R21/22:Harmful in contact with skin and if swallowed . R22:Harmful if swallowed. less more
Safety Statements	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 . less more
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS	LV1950000
Hazard Note	Irritant
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29321900
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Oral Acute Tox. 4 Dermal Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Safety Profile	Poison by intraperitoneal route. A skin irritant and lachrymator. When heated to decomposition it emits acrid smoke and irritating fumes. less more

Raw materials And Preparation Products

Hazard Information

Description

Methyl 2-furoate has a pleasant, fruity odor similar to mushroom, fungus or tobacco with a sweet, tart, fruity taste that is quite heavy. May be prepared from 2-furoic acid in methanol solution in the presence of HCL as catalyst (oxidation or Carmizzaro reaction).

Chemical Properties

Colorless to light yellow liqui

Chemical Properties

Methyl furoate has a pleasant, fruity odor similar to mushroom, fungus or tobacco with a sweet, tart, fruity taste that is quite heavy

Occurrence

Reported found in cranberry, guava, baked potato, raisin, papaya, blackberry, baked potato, tomato, cognac, coffee, filbert, peanut, cocoa, passion fruit, almonds, tamarind, soursop, dried bonito, kiwifruit, mountain papaya, wild rice, okra, grape brandy and roasted hazelnut.

Definition

ChEBI: Methyl 2-Furancarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.

Preparation

From 2-furoic acid in methanol solution in the presence of HCl as catalyst (oxidation or Carmizzaro reaction)

Aroma threshold values

Aroma characteristics at 1.0%: musty, sweet caramel, fruity, cocoa, bready and slightly rubbery.

Taste threshold values

Taste characteristics at 20 ppm: brothy, yeasty, caramellic and burnt with a sweet bready, acetoin, buttery nuance

Synthesis Reference(s)

Chemical and Pharmaceutical Bulletin, 37, p. 3225, 1989 DOI: 10.1248/cpb.37.3225

General Description

Methyl 2-furoate has been identified as one of the volatile flavor compounds in tequila, okra, berrycactus and black currant juice.

Synthesis

88-14-2

108-59-8

611-13-2

To a Schlenk tube equipped with a magnetic stirring bar, furoic acid (0.3 mmol), dimethyl malonate (1.8 mmol), KBr (0.09 mmol) and DMF (2 mL) were added sequentially. The reaction mixture was stirred at the set temperature for 12 hours. After the reaction was completed, the mixture was cooled to room temperature. The reaction solution was poured into ethyl acetate, washed with water and extracted with ethyl acetate. The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by fast column chromatography (eluent: petroleum ether or mixed solvent of petroleum ether/ethyl acetate) to obtain high purity methyl 2-furoate.

storage

Store at -20°C

References

[1] Tetrahedron, 2015, vol. 71, # 48, p. 9067 - 9072

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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