1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:26 UTC FDB016855 Hexyl 2-furoate Flavouring ingredient 2-Furancarboxylic acid, hexyl ester FEMA 2571 Hexyl 2-furancarboxylate Hexyl 2-furoate Hexyl furoate C11H16O3 196.2429 196.109944378 hexyl furan-2-carboxylate hexyl furan-2-carboxylate 39251-86-0 CCCCCCOC(=O)C1=CC=CO1 InChI=1S/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3 KMLFVAGUWNPADU-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. Furoic acid esters Organic compounds Organoheterocyclic compounds Furans Furoic acid and derivatives Aromatic heteromonocyclic compounds Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Carboxylic acid derivative Carboxylic acid ester Furoic acid ester Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 3.53 ALOGPS logs -3.42 ALOGPS solubility 7.40e-02 g/l ALOGPS logp 3.25 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac hexyl furan-2-carboxylate ChemAxon average_mass 196.2429 ChemAxon mono_mass 196.109944378 ChemAxon smiles CCCCCCOC(=O)C1=CC=CO1 ChemAxon formula C11H16O3 ChemAxon inchi InChI=1S/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3 ChemAxon inchikey KMLFVAGUWNPADU-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 53.55 ChemAxon polarizability 22.41 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7629 Specdb::MsIr 7630 Specdb::CMs 24256 Specdb::CMs 29396 Specdb::CMs 101894 Specdb::CMs 169862 Specdb::MsMs 94389 Specdb::MsMs 94390 Specdb::MsMs 94391 Specdb::MsMs 158412 Specdb::MsMs 158413 Specdb::MsMs 158414 Specdb::MsMs 2451205 Specdb::MsMs 2451206 Specdb::MsMs 2451207 Specdb::MsMs 2487396 Specdb::MsMs 2487397 Specdb::MsMs 2487398 HMDB37725 #<Reference:0x0000561271de1230> apple floral green pear sweet waxy