1.0 2010-04-08 22:14:14 UTC 2019-11-26 03:17:19 UTC FDB019248 Butyl butyrate Present in many fruits, e.g. banana, cherry, melon, plum, also present in gruyere de comte cheese, cider, soybean etc. It is used in fruit flavour compositions Butyl butyrate, or butyl butanoate, is an organic compound which is an ester formed by the condensation of butyric acid and butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether. Its refractive index is 1.406 at 20 °C. Butyl butyrate is found in many foods, some of which are milk and milk products, pulses, fruits, and alcoholic beverages. 1-Butyl butyrate Butanoic acid, butyl ester Butyl butanoate Butyl butylate Butyl butyrate Butyl ester of butanoic acid Butyl n-butyrate Butyric acid, butyl ester FEMA 2186 N-butyl butanoate N-butyl butyrate N-butyl n-butanoate N-butyl n-butyrate N-butyl-n-butyrate N-butyric acid n-butyl ester C8H16O2 144.2114 144.115029756 butyl butanoate butyl butyrate 109-21-7 CCCCOC(=O)CCC InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 XUPYJHCZDLZNFP-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 butyrate ester logp 2.82 ALOGPS logs -2.02 ALOGPS solubility 1.36e+00 g/l ALOGPS melting_point Mp -91.5° logp 2.39 ChemAxon pka_strongest_basic -7 ChemAxon iupac butyl butanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCOC(=O)CCC ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 ChemAxon inchikey XUPYJHCZDLZNFP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.51 ChemAxon polarizability 17.34 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4431 Specdb::NmrOneD 4549 Specdb::MsIr 8210 Specdb::MsIr 8211 Specdb::CMs 3297 Specdb::CMs 27149 Specdb::CMs 27264 Specdb::CMs 28110 Specdb::CMs 28358 Specdb::CMs 102029 Specdb::CMs 102030 Specdb::CMs 102031 Specdb::CMs 102032 Specdb::CMs 135000 Specdb::CMs 142734 Specdb::MsMs 69111 Specdb::MsMs 69112 Specdb::MsMs 69113 Specdb::MsMs 127314 Specdb::MsMs 127315 Specdb::MsMs 127316 Specdb::MsMs 2411653 Specdb::MsMs 2411654 Specdb::MsMs 2411655 Specdb::MsMs 2550555 Specdb::MsMs 2550556 Specdb::MsMs 2550557 HMDB39620 #<Reference:0x000055ce31e50948> Alcoholic beverages Unknown generic Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Banana Type 1 specific Musa acuminata 4641 Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Milk and milk products Unknown generic Pear Type 1 specific Pyrus communis 23211 Pulses Unknown generic Sweet cherry Type 1 specific Prunus avium 42229 apple banana berry fruity peach pear pineapple sweet