1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:33 UTC FDB016864 Isobutyl 2-furanpropionate Flavouring ingredient with a sweet dry, brandy flavour at low levels FEMA 2198 Isobutyl 2-furanpropionate C11H16O3 196.2429 196.109944378 2-methylpropyl 3-(furan-2-yl)propanoate 2-methylpropyl 3-(furan-2-yl)propanoate 105-01-1 CC(C)COC(=O)CCC1=CC=CO1 InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3 SVDPTFHRRNUNRS-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 logp 2.87 ALOGPS logs -3.13 ALOGPS solubility 1.47e-01 g/l ALOGPS logp 2.35 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2-methylpropyl 3-(furan-2-yl)propanoate ChemAxon average_mass 196.2429 ChemAxon mono_mass 196.109944378 ChemAxon smiles CC(C)COC(=O)CCC1=CC=CO1 ChemAxon formula C11H16O3 ChemAxon inchi InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3 ChemAxon inchikey SVDPTFHRRNUNRS-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 53.02 ChemAxon polarizability 22.04 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7643 Specdb::MsIr 7644 Specdb::CMs 19390 Specdb::CMs 28351 Specdb::CMs 101898 Specdb::CMs 165286 Specdb::MsMs 93348 Specdb::MsMs 93349 Specdb::MsMs 93350 Specdb::MsMs 157095 Specdb::MsMs 157096 Specdb::MsMs 157097 Specdb::MsMs 2392831 Specdb::MsMs 2392832 Specdb::MsMs 2392833 Specdb::MsMs 2570234 Specdb::MsMs 2570235 Specdb::MsMs 2570236 HMDB37734 #<Reference:0x000055ce31c78238> floral fruity pineapple sweet woody