1.0 2010-04-08 22:04:56 UTC 2025-11-18 22:30:47 UTC FDB001370 Methyl propionate Flavouring ingredient FEMA 2742 Methyl ester of propanoic acid Methyl propanoate Methyl propionate Methyl propylate Propanoic acid, methyl ester Propionic acid, methyl ester C4H8O2 88.1051 88.0524295 methyl propanoate methyl propionate 554-12-1 CCC(=O)OC InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3 RJUFJBKOKNCXHH-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. Methyl 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 Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters Liquid logp 0.68 ALOGPS logs 0.17 ALOGPS solubility 1.31e+02 g/l ALOGPS melting_point -87.5 oC logp 0.62 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl propanoate ChemAxon average_mass 88.1051 ChemAxon mono_mass 88.0524295 ChemAxon smiles CCC(=O)OC ChemAxon formula C4H8O2 ChemAxon inchi InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3 ChemAxon inchikey RJUFJBKOKNCXHH-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 22.04 ChemAxon polarizability 9.31 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3820 Specdb::MsIr 3821 Specdb::CMs 13614 Specdb::CMs 27028 Specdb::CMs 27133 Specdb::CMs 27802 Specdb::CMs 28091 Specdb::CMs 28132 Specdb::CMs 28280 Specdb::CMs 100522 Specdb::CMs 100523 Specdb::CMs 100524 Specdb::CMs 100525 Specdb::CMs 100526 Specdb::CMs 100527 Specdb::CMs 135131 Specdb::CMs 142865 Specdb::MsMs 75825 Specdb::MsMs 75826 Specdb::MsMs 75827 Specdb::MsMs 135537 Specdb::MsMs 135538 Specdb::MsMs 135539 Specdb::MsMs 2659570 Specdb::MsMs 2659571 Specdb::MsMs 2659572 Specdb::MsMs 3019521 Specdb::MsMs 3019522 Specdb::MsMs 3019523 HMDB30062 #<Reference:0x000055ce32c58db0> Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus apple fresh fruity harsh rum strawberry