1.0 2010-04-08 22:09:21 UTC 2019-11-26 03:04:16 UTC FDB010904 Ethyl 2-furanpropionate Present in rum. Flavouring ingredient. Ethyl 2-furanpropionate is found in alcoholic beverages. 2-Furanpropanoic acid, ethyl ester 2-Furanpropionic acid, ethyl ester 2-Furanpropionic acid, ethyl ester (8ci) Ethyl 2-furanpropanoate Ethyl 2-furanpropionate Ethyl 3-(2-furyl)propanoate Ethyl 3-(2-furyl)propionate Ethyl 3-(alpha-furyl)propionate ETHYL 3(2-furyl)propanoATE Ethyl alpha-furyl)propionate Ethyl beta-furylpropionate Ethyl furan-2-propionate Ethyl furfhydracrylate Ethyl furfurylacetate Ethyl furfurylhydracrylate FEMA 2435 C9H12O3 168.1898 168.07864425 ethyl 3-(furan-2-yl)propanoate ethyl 3-(furan-2-yl)propanoate 10031-90-0 CCOC(=O)CCC1=CC=CO1 InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3 OWIWZQQFSTZZIG-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aromatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Furans Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Furan Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Liquid logp 2.26 ALOGPS logs -1.90 ALOGPS solubility 2.11e+00 g/l ALOGPS melting_point Mp 24.5° logp 1.46 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac ethyl 3-(furan-2-yl)propanoate ChemAxon average_mass 168.1898 ChemAxon mono_mass 168.07864425 ChemAxon smiles CCOC(=O)CCC1=CC=CO1 ChemAxon formula C9H12O3 ChemAxon inchi InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3 ChemAxon inchikey OWIWZQQFSTZZIG-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 44.03 ChemAxon polarizability 18.1 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21997 Specdb::CMs 158213 Specdb::MsIr 5792 Specdb::MsIr 5793 Specdb::NmrOneD 116658 Specdb::NmrOneD 116659 Specdb::NmrOneD 116660 Specdb::NmrOneD 116661 Specdb::NmrOneD 116662 Specdb::NmrOneD 116663 Specdb::NmrOneD 116664 Specdb::NmrOneD 116665 Specdb::NmrOneD 116666 Specdb::NmrOneD 116667 Specdb::NmrOneD 116668 Specdb::NmrOneD 116669 Specdb::NmrOneD 116670 Specdb::NmrOneD 116671 Specdb::NmrOneD 116672 Specdb::NmrOneD 116673 Specdb::NmrOneD 116674 Specdb::NmrOneD 116675 Specdb::NmrOneD 116676 Specdb::NmrOneD 116677 Specdb::MsMs 87366 Specdb::MsMs 87367 Specdb::MsMs 87368 Specdb::MsMs 149856 Specdb::MsMs 149857 Specdb::MsMs 149858 Specdb::MsMs 3040237 Specdb::MsMs 3040238 Specdb::MsMs 3040239 Specdb::MsMs 3102860 Specdb::MsMs 3102861 Specdb::MsMs 3102862 HMDB32921 #<Reference:0x000055ce30044120> Alcoholic beverages Unknown generic balsam fruity pineapple sweet