1.0 2010-04-08 22:10:11 UTC 2019-11-26 03:06:48 UTC FDB012448 Pentyl butanoate Found in banana, apple and apricot fruits. It is used in food flavouring Pentyl butyrate, also known as pentyl butanoate or amyl butyrate, is an ester that is formed when pentanol is reacted with butyric acid, usually in the presence of sulfuric acid as a catalyst. This ester has a smell reminiscent of pear or apricot. This chemical is used as an additive in cigarettes. 1-Pentyl butyrate Amyl butanoate Amyl butyrate Butanoic acid, pentyl ester Butyric acid, pentyl ester FEMA 2059 N-amyl butyrate n-Amyl butyrate, 8CI N-amyl n-butyrate N-pentyl butanoate N-pentyl butyrate N-pentyl n-butyrate Pentyl butanoate, 9CI Pentyl butyrate C9H18O2 158.238 158.13067982 pentyl butanoate pentyl butyrate 540-18-1 CCCCCOC(=O)CCC InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3 CFNJLPHOBMVMNS-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 butyrate ester logp 3.32 ALOGPS logs -2.63 ALOGPS solubility 3.67e-01 g/l ALOGPS melting_point Mp -73.2° logp 2.84 ChemAxon pka_strongest_basic -7 ChemAxon iupac pentyl butanoate ChemAxon average_mass 158.238 ChemAxon mono_mass 158.13067982 ChemAxon smiles CCCCCOC(=O)CCC ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3 ChemAxon inchikey CFNJLPHOBMVMNS-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.12 ChemAxon polarizability 19.43 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14976 Specdb::CMs 27266 Specdb::CMs 28115 Specdb::CMs 28360 Specdb::CMs 101536 Specdb::CMs 101537 Specdb::CMs 101538 Specdb::CMs 169026 Specdb::MsIr 6439 Specdb::MsIr 6440 Specdb::MsMs 9041 Specdb::MsMs 9042 Specdb::MsMs 9043 Specdb::MsMs 15713 Specdb::MsMs 15714 Specdb::MsMs 15715 Specdb::MsMs 2769149 Specdb::MsMs 2769150 Specdb::MsMs 2769151 Specdb::MsMs 2912387 Specdb::MsMs 2912388 Specdb::MsMs 2912389 HMDB34162 #<Reference:0x000055ce324dda90> Anatidae Type 1 specific Anatidae 8830 Apple Type 1 specific Malus pumila 283210 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Cocoa bean Type 1 specific Theobroma cacao 3641 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Fruits Unknown generic Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Pomes Unknown generic Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Sweet cherry Type 1 specific Prunus avium 42229 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 banana cherry fruity pineapple sweet tropical Ataxigenic 714 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.