1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:30 UTC FDB016860 Furfuryl octanoate Flavouring ingredient 2-Furanylmethyl octanoate 2-Furfuryl octanoate 2-Furylmethyl octanoate Alpha-furfuryl octanoate FEMA 3396 Furfuryl caprylate Furfuryl octanoate Octanoic acid, 2-furanylmethyl ester Octanoic acid, furfuryl ester C13H20O3 224.2961 224.141244506 furan-2-ylmethyl octanoate furan-2-ylmethyl octanoate 39252-03-4 CCCCCCCC(=O)OCC1=CC=CO1 InChI=1S/C13H20O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h7-8,10H,2-6,9,11H2,1H3 JNIWCVWKECYDSV-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 4.31 ALOGPS logs -3.84 ALOGPS solubility 3.23e-02 g/l ALOGPS logp 3.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac furan-2-ylmethyl octanoate ChemAxon average_mass 224.2961 ChemAxon mono_mass 224.141244506 ChemAxon smiles CCCCCCCC(=O)OCC1=CC=CO1 ChemAxon formula C13H20O3 ChemAxon inchi InChI=1S/C13H20O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h7-8,10H,2-6,9,11H2,1H3 ChemAxon inchikey JNIWCVWKECYDSV-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 62.05 ChemAxon polarizability 26.21 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25422 Specdb::CMs 130426 Specdb::CMs 138160 Specdb::MsMs 91572 Specdb::MsMs 91573 Specdb::MsMs 91574 Specdb::MsMs 154989 Specdb::MsMs 154990 Specdb::MsMs 154991 Specdb::MsMs 2815636 Specdb::MsMs 2815637 Specdb::MsMs 2815638 Specdb::MsMs 2893583 Specdb::MsMs 2893584 Specdb::MsMs 2893585 HMDB37730 #<Reference:0x000055ce33040568> fruity metallic peach sweet waxy