1.0 2010-04-08 22:04:56 UTC 2019-11-26 02:56:22 UTC FDB001358 Butyl propionate Flavouring ingredient Butyl ester of propanoic acid Butyl propanoate Butyl propionate Butyl propionate [UN1914] [Flammable liquid] FEMA 2211 N-butyl n-propionate N-butyl propanoate N-butyl propionate Propanoic acid, butyl ester Propionic acid, butyl ester C7H14O2 130.1849 130.099379692 butyl propanoate N-butyl propionate 590-01-2 CCCCOC(=O)CC InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 BTMVHUNTONAYDX-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 2.38 ALOGPS logs -1.61 ALOGPS solubility 3.22e+00 g/l ALOGPS melting_point -89 oC logp 1.95 ChemAxon pka_strongest_basic -7 ChemAxon iupac butyl propanoate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCCCOC(=O)CC ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 ChemAxon inchikey BTMVHUNTONAYDX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.91 ChemAxon polarizability 15.34 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3809 Specdb::MsIr 3810 Specdb::CMs 23413 Specdb::CMs 27196 Specdb::CMs 27258 Specdb::CMs 27831 Specdb::CMs 27843 Specdb::CMs 28285 Specdb::CMs 100495 Specdb::CMs 100496 Specdb::CMs 100497 Specdb::CMs 100498 Specdb::CMs 100499 Specdb::CMs 149082 Specdb::MsMs 45081 Specdb::MsMs 45082 Specdb::MsMs 45083 Specdb::MsMs 128721 Specdb::MsMs 128722 Specdb::MsMs 128723 Specdb::MsMs 2681628 Specdb::MsMs 2681629 Specdb::MsMs 2681630 Specdb::MsMs 3026631 Specdb::MsMs 3026632 Specdb::MsMs 3026633 Specdb::NmrOneD 16842 Specdb::NmrOneD 16843 Specdb::NmrOneD 16844 Specdb::NmrOneD 16845 Specdb::NmrOneD 16846 Specdb::NmrOneD 16847 Specdb::NmrOneD 16848 Specdb::NmrOneD 16849 Specdb::NmrOneD 16850 Specdb::NmrOneD 16851 Specdb::NmrOneD 16852 Specdb::NmrOneD 16853 Specdb::NmrOneD 16854 Specdb::NmrOneD 16855 Specdb::NmrOneD 16856 Specdb::NmrOneD 16857 Specdb::NmrOneD 16858 Specdb::NmrOneD 16859 Specdb::NmrOneD 16860 Specdb::NmrOneD 16861 HMDB30052 #<Reference:0x000055ce31bee2b8> #<Reference:0x000055ce31bee100> Apple Type 1 specific Malus pumila 283210 Sweet cherry Type 1 specific Prunus avium 42229 banana earthy rose sweet weak