1.0 2010-04-08 22:10:14 UTC 2019-11-26 03:07:02 UTC FDB012551 2-Methylpropyl propanoate Flavouring ingredient 2-Methyl-1-propyl propanoate 2-Methylpropyl propanoate 2-Methylpropyl propionate Cyclopropyl methyl ether FEMA 2212 Iso-butyl n-propionate Isobutyl ester of propanoic acid Isobutyl propanoate Isobutyl propionate Isobutyl propionate [UN2394] [Flammable liquid] Propanoic acid, 2-methylpropyl ester Propionic acid, isobutyl ester C7H14O2 130.1849 130.099379692 2-methylpropyl propanoate 2-methylpropyl propanoate 540-42-1 CCC(=O)OCC(C)C InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3 FZXRXKLUIMKDEL-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 Wax monoesters Liquid logp 2.22 ALOGPS logs -1.53 ALOGPS solubility 3.88e+00 g/l ALOGPS melting_point -71.4 oC logp 1.87 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylpropyl propanoate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCC(=O)OCC(C)C ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3 ChemAxon inchikey FZXRXKLUIMKDEL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.78 ChemAxon polarizability 15.2 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22636 Specdb::CMs 27032 Specdb::CMs 28089 Specdb::CMs 28130 Specdb::CMs 28286 Specdb::CMs 101580 Specdb::CMs 101581 Specdb::CMs 101582 Specdb::CMs 101583 Specdb::CMs 132734 Specdb::CMs 140468 Specdb::MsMs 42894 Specdb::MsMs 42895 Specdb::MsMs 42896 Specdb::MsMs 144870 Specdb::MsMs 144871 Specdb::MsMs 144872 Specdb::MsMs 2728219 Specdb::MsMs 2728220 Specdb::MsMs 2728221 Specdb::MsMs 2980709 Specdb::MsMs 2980710 Specdb::MsMs 2980711 Specdb::MsIr 6510 Specdb::MsIr 6511 Specdb::NmrOneD 125158 Specdb::NmrOneD 125159 Specdb::NmrOneD 125160 Specdb::NmrOneD 125161 Specdb::NmrOneD 125162 Specdb::NmrOneD 125163 Specdb::NmrOneD 125164 Specdb::NmrOneD 125165 Specdb::NmrOneD 125166 Specdb::NmrOneD 125167 Specdb::NmrOneD 125168 Specdb::NmrOneD 125169 Specdb::NmrOneD 125170 Specdb::NmrOneD 125171 Specdb::NmrOneD 125172 Specdb::NmrOneD 125173 Specdb::NmrOneD 125174 Specdb::NmrOneD 125175 Specdb::NmrOneD 125176 Specdb::NmrOneD 125177 HMDB34239 #<Reference:0x000055ce321d3f98> Apple Type 1 specific Malus pumila 283210 banana bitter ether fruity green sweet tutti frutti