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2-Furanpropanoic acid,ethyl ester

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Name

2-Furanpropanoic acid,ethyl ester

EINECS 233-097-5
CAS No. 10031-90-0 Density 1.064 g/cm3
Solubility Melting Point
Formula C9H12O3 Boiling Point 215.4 °C at 760 mmHg
Molecular Weight 168.19 Flash Point 92.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 10031-90-0 (2-Furanpropanoic acid,ethyl ester) Hazard Symbols
Synonyms

2-Furanpropionicacid, ethyl ester (6CI,7CI,8CI);Ethyl 2-furanpropionate;Ethyl3-(2-furyl)propanoate;Ethyl 3-(2-furyl)propionate;Ethyl 3-(a-furyl)propionate;Ethyl b-furylpropionate;NSC 97529;

 

2-Furanpropanoic acid,ethyl ester Specification

The 2-Furanpropanoic acid,ethyl ester is an organic compound with the formula C9H12O3. The IUPAC name of this chemical is ethyl 3-(furan-2-yl)propanoate. With the CAS registry number 10031-90-0, it is also named as Ethyl 2-furanpropanoate. The product's categories are Alphabetical Listings; E-F; Flavors and Fragrances.

Physical properties about 2-Furanpropanoic acid,ethyl ester are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.89; (5)ACD/BCF (pH 7.4): 17.89; (6)ACD/KOC (pH 5.5): 274.35; (7)ACD/KOC (pH 7.4): 274.35; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 39.44 Å2; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 43.77 cm3; (13)Molar Volume: 158 cm3; (14)Polarizability: 17.35×10-24cm3; (15)Surface Tension: 34.1 dyne/cm; (16)Density: 1.064 g/cm3; (17)Flash Point: 92.3 °C; (18)Enthalpy of Vaporization: 45.17 kJ/mol; (19)Boiling Point: 215.4 °C at 760 mmHg; (20)Vapour Pressure: 0.148 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-furan-2-yl-acrylic acid ethyl ester. This reaction will need reagent conc. NH4OH, H2, catalyst Raney nickel and solvent ethanol. The yield is about 80%.

Uses of 2-Furanpropanoic acid,ethyl ester: it can be used to produce 3-(5-hydroxymethyl-furan-2-yl)-propionic acid ethyl ester at temperature of 80 °C. It will need reagent CH3COOH with reaction time of 3 hours. The yield is about 37%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCc1occc1
(2)InChI: InChI=1/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
(3)InChIKey: OWIWZQQFSTZZIG-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
(5)Std. InChIKey: OWIWZQQFSTZZIG-UHFFFAOYSA-N

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