1.0 2010-04-08 22:14:43 UTC 2019-11-26 03:18:12 UTC FDB019970 Propyl formate Flavouring ingredient. Propyl formate is found in pineapple and apple. FEMA 2943 Formiate de propyle Formic acid, propyl ester HCOOCH2CH2CH3 N-propyl formate N-propyl methanoate Propyl ester of formic acid Propyl formate Propyl formates Propyl formates [UN1281] [Flammable liquid] Propyl methanoate Propylester kyseliny mravenci C4H8O2 88.1051 88.0524295 propyl formate propyl formate 110-74-7 CCCOC=O InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3 KFNNIILCVOLYIR-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 logp 0.93 ALOGPS logs 0.09 ALOGPS solubility 1.08e+02 g/l ALOGPS melting_point Mp -92.9° logp 0.75 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac propyl formate ChemAxon average_mass 88.1051 ChemAxon mono_mass 88.0524295 ChemAxon smiles CCCOC=O ChemAxon formula C4H8O2 ChemAxon inchi InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3 ChemAxon inchikey KFNNIILCVOLYIR-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 22.19 ChemAxon polarizability 9.3 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8848 Specdb::MsIr 8849 Specdb::CMs 19240 Specdb::CMs 28330 Specdb::CMs 29317 Specdb::CMs 102099 Specdb::CMs 102100 Specdb::CMs 134994 Specdb::CMs 142728 Specdb::MsMs 108339 Specdb::MsMs 108340 Specdb::MsMs 108341 Specdb::MsMs 175533 Specdb::MsMs 175534 Specdb::MsMs 175535 Specdb::MsMs 2756865 Specdb::MsMs 2756866 Specdb::MsMs 2756867 Specdb::MsMs 2948961 Specdb::MsMs 2948962 Specdb::MsMs 2948963 HMDB40253 #<Reference:0x000055ce32c31850> Apple Type 1 specific Malus pumila 283210 Milk (Cow) Type 2 specific 1.875 2.3 1.45 mg/100 g Pineapple Type 1 specific Ananas comosus 4615 berry bitter ethereal fruity green rum sweet