1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:27 UTC FDB016857 Furfuryl pentanoate Flavouring ingredient 2-Furanylmethyl pentanoate 2-Furfuryl pentanoate 2-Furylmethyl pentanoate Alpha-furfuryl pentanoate FEMA 3397 Furfuryl pentanoate Furfuryl valerate Pentanoic acid, 2-furanylmethyl ester C10H14O3 182.2164 182.094294314 furan-2-ylmethyl pentanoate furan-2-ylmethyl pentanoate 36701-01-6 CCCCC(=O)OCC1=CC=CO1 InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3 HRYAVTBTUKVHBU-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 2.83 ALOGPS logs -2.70 ALOGPS solubility 3.61e-01 g/l ALOGPS logp 2.3 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac furan-2-ylmethyl pentanoate ChemAxon average_mass 182.2164 ChemAxon mono_mass 182.094294314 ChemAxon smiles CCCCC(=O)OCC1=CC=CO1 ChemAxon formula C10H14O3 ChemAxon inchi InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3 ChemAxon inchikey HRYAVTBTUKVHBU-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 48.25 ChemAxon polarizability 20.13 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7631 Specdb::MsIr 7632 Specdb::CMs 15377 Specdb::CMs 28369 Specdb::CMs 101895 Specdb::CMs 150923 Specdb::MsMs 43968 Specdb::MsMs 43969 Specdb::MsMs 43970 Specdb::MsMs 168831 Specdb::MsMs 168832 Specdb::MsMs 168833 Specdb::MsMs 2298573 Specdb::MsMs 2298574 Specdb::MsMs 2298575 Specdb::MsMs 2637529 Specdb::MsMs 2637530 Specdb::MsMs 2637531 HMDB37727 #<Reference:0x000055ce3250f158> apple cheesy fruity pineapple sweet tropical