1.0 2010-04-08 22:14:41 UTC 2019-11-26 03:18:04 UTC FDB019923 Butyl hexanoate Present in fruits and berries, e.g. apricot, banana, orange, wine grapes, papaya etcand is) also present in beer, apple brandy and plum wine. It is used in fruit flavourings. Butyl hexanoate is found in many foods, some of which are fruits, pomes, alcoholic beverages, and citrus. Butyl caproate Butyl caprylate Butyl ester of hexanoic acid Butyl hexanoate FEMA 2201 Hexanoic acid, butyl ester N-butyl caproate N-butyl hexanoate N-butyl n-hexanoate N-caproic acid n-butyl ester C10H20O2 172.2646 172.146329884 butyl hexanoate N-butyl hexanoate 626-82-4 CCCCCC(=O)OCCCC InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3 RPRPDTXKGSIXMD-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 logp 3.75 ALOGPS logs -3.15 ALOGPS solubility 1.21e-01 g/l ALOGPS melting_point Fp -68.4° logp 3.28 ChemAxon pka_strongest_basic -7 ChemAxon iupac butyl hexanoate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCCCCC(=O)OCCCC ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3 ChemAxon inchikey RPRPDTXKGSIXMD-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.72 ChemAxon polarizability 21.47 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8785 Specdb::MsIr 8786 Specdb::CMs 13124 Specdb::CMs 27885 Specdb::CMs 28563 Specdb::CMs 102069 Specdb::CMs 102070 Specdb::CMs 131879 Specdb::CMs 139613 Specdb::MsMs 50229 Specdb::MsMs 50230 Specdb::MsMs 50231 Specdb::MsMs 166083 Specdb::MsMs 166084 Specdb::MsMs 166085 Specdb::MsMs 2349251 Specdb::MsMs 2349252 Specdb::MsMs 2349253 Specdb::MsMs 2586793 Specdb::MsMs 2586794 Specdb::MsMs 2586795 HMDB40211 #<Reference:0x000055ce319e9bc0> Alcoholic beverages Unknown generic Asian pear Type 1 specific Pyrus pyrifolia 3767 Citrus Unknown generic Fruits Unknown generic Papaya Type 1 specific Carica papaya 3649 Pear Type 1 specific Pyrus communis 23211 Pomes Unknown generic Sweet cherry Type 1 specific Prunus avium 42229 berry fruit fruity pineapple wine