1.0 2010-04-08 22:04:56 UTC 2025-11-18 22:30:41 UTC FDB001367 Propyl propionate Flavouring ingredient. Propyl propionate is found in black elderberry. FEMA 2958 N-propyl n-propionate N-propyl propanoate N-propyl propionate Propanoic acid, propyl ester Propionic acid n-propyl ester Propionic acid, propyl ester Propyl ester of propanoic acid Propyl propanoate Propyl propionate Propyl-propanoate Propylester kyseliny propionove C6H12O2 116.1583 116.083729628 propyl propanoate propyl propanoate 106-36-5 CCCOC(=O)CC InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3 MCSINKKTEDDPNK-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 1.81 ALOGPS logs -1.03 ALOGPS solubility 1.09e+01 g/l ALOGPS melting_point -75.9 oC logp 1.5 ChemAxon pka_strongest_basic -7 ChemAxon iupac propyl propanoate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCCOC(=O)CC ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3 ChemAxon inchikey MCSINKKTEDDPNK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.31 ChemAxon polarizability 13.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20694 Specdb::CMs 27030 Specdb::CMs 27837 Specdb::CMs 27839 Specdb::CMs 28283 Specdb::CMs 100509 Specdb::CMs 100510 Specdb::CMs 100511 Specdb::CMs 100512 Specdb::CMs 146359 Specdb::MsMs 64035 Specdb::MsMs 64036 Specdb::MsMs 64037 Specdb::MsMs 121089 Specdb::MsMs 121090 Specdb::MsMs 121091 Specdb::MsMs 2457518 Specdb::MsMs 2457519 Specdb::MsMs 2457520 Specdb::MsMs 2482039 Specdb::MsMs 2482040 Specdb::MsMs 2482041 Specdb::MsIr 3815 Specdb::MsIr 3816 Specdb::NmrOneD 160689 Specdb::NmrOneD 160690 Specdb::NmrOneD 160691 Specdb::NmrOneD 160692 Specdb::NmrOneD 160693 Specdb::NmrOneD 160694 Specdb::NmrOneD 160695 Specdb::NmrOneD 160696 Specdb::NmrOneD 160697 Specdb::NmrOneD 160698 Specdb::NmrOneD 160699 Specdb::NmrOneD 160700 Specdb::NmrOneD 160701 Specdb::NmrOneD 160702 Specdb::NmrOneD 160703 Specdb::NmrOneD 160704 Specdb::NmrOneD 160705 Specdb::NmrOneD 160706 Specdb::NmrOneD 160707 Specdb::NmrOneD 160708 HMDB30059 #<Reference:0x000055ce317f34d8> Apple Type 1 specific Malus pumila 283210 Black elderberry Type 1 specific Sambucus nigra 4202 Sweet cherry Type 1 specific Prunus avium 42229 bitter chemical fruity pineapple pungent sharp sweet