1.0 2010-04-08 22:11:38 UTC 2019-11-26 03:11:10 UTC FDB015074 Hexyl octanoate Flavouring ingredient 8-(5-Hexyl-furan-2-yl)-octanoate 8-(5-Hexyl-furan-2-yl)-octanoic acid Caproyl caprylate FEMA 2575 Hexyl caprylate Hexyl octanoate Hexyl octylate N-hexyl caprylate Octanoic acid, hexyl ester C14H28O2 228.3709 228.20893014 hexyl octanoate octanoic acid, hexyl ester 1117-55-1 CCCCCCCC(=O)OCCCCCC InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3 PBGWNXWNCSSXCO-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 Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters octanoate ester logp 5.62 ALOGPS logs -5.21 ALOGPS solubility 1.41e-03 g/l ALOGPS melting_point Mp -31° logp 5.06 ChemAxon pka_strongest_basic -7 ChemAxon iupac hexyl octanoate ChemAxon average_mass 228.3709 ChemAxon mono_mass 228.20893014 ChemAxon smiles CCCCCCCC(=O)OCCCCCC ChemAxon formula C14H28O2 ChemAxon inchi InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3 ChemAxon inchikey PBGWNXWNCSSXCO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.12 ChemAxon polarizability 29.87 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17009 Specdb::CMs 28313 Specdb::CMs 101798 Specdb::CMs 137508 Specdb::CMs 145242 Specdb::MsMs 74106 Specdb::MsMs 74107 Specdb::MsMs 74108 Specdb::MsMs 133404 Specdb::MsMs 133405 Specdb::MsMs 133406 Specdb::MsMs 2747413 Specdb::MsMs 2747414 Specdb::MsMs 2747415 Specdb::MsMs 2931540 Specdb::MsMs 2931541 Specdb::MsMs 2931542 HMDB36216 34491 #<Reference:0x000055ac3eaa4b10> Asian pear Type 1 specific Pyrus pyrifolia 3767 apple berry ester fruity green herb oil waxy