1.0 2010-04-08 22:09:30 UTC 2015-07-20 22:38:36 UTC FDB011175 Octyl octanoate Flavouring agent Capryl caprylate FEMA 2811 N-octyl caprylate Octanoic acid, octyl ester Octyl caprylate Octyl octanoate Octyl octylate C16H32O2 256.4241 256.240230268 octyl octanoate octanoic acid, octyl ester 2306-88-9 CCCCCCCCOC(=O)CCCCCCC InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3 DJNTZVRUYMHBTD-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters Liquid logp 6.52 ALOGPS logs -6.04 ALOGPS solubility 2.33e-04 g/l ALOGPS melting_point Mp -18.1° logp 5.95 ChemAxon pka_strongest_basic -7 ChemAxon iupac octyl octanoate ChemAxon average_mass 256.4241 ChemAxon mono_mass 256.240230268 ChemAxon smiles CCCCCCCCOC(=O)CCCCCCC ChemAxon formula C16H32O2 ChemAxon inchi InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3 ChemAxon inchikey DJNTZVRUYMHBTD-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 77.32 ChemAxon polarizability 34.1 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21413 Specdb::CMs 28573 Specdb::CMs 101313 Specdb::CMs 149525 Specdb::MsMs 62094 Specdb::MsMs 62095 Specdb::MsMs 62096 Specdb::MsMs 118758 Specdb::MsMs 118759 Specdb::MsMs 118760 Specdb::MsMs 2264248 Specdb::MsMs 2264249 Specdb::MsMs 2264250 Specdb::MsMs 3075222 Specdb::MsMs 3075223 Specdb::MsMs 3075224 HMDB33166 #<Reference:0x000055ce320ef870> coconut fruity oily