1.0 2010-04-08 22:14:14 UTC 2019-11-26 03:17:18 UTC FDB019246 Propyl butyrate Present in many fruits, e.g. apple, apricot, banana, melon, papaya etc., also present in Camembert and other cheeses. Flavouring ingredient. Propyl butyrate is found in pomes, milk and milk products, and fruits. 1-Propyl butyrate Butanoic acid, propyl ester Butyric acid, propyl ester N-butyric acid n-propyl ester N-propyl butyrate N-propyl n-butyrate N-propyl-n-butanoate Propyl butanoate Propyl butyrate Propyl bytanoate Propyl ester of butanoic acid Propyl n-butyrate C7H14O2 130.1849 130.099379692 propyl butanoate N-propylbutyrate 105-66-8 CCCOC(=O)CCC InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3 HUAZGNHGCJGYNP-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters logp 2.32 ALOGPS logs -1.49 ALOGPS solubility 4.20e+00 g/l ALOGPS melting_point Mp -95.2° logp 1.95 ChemAxon pka_strongest_basic -7 ChemAxon iupac propyl butanoate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCCOC(=O)CCC ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3 ChemAxon inchikey HUAZGNHGCJGYNP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.91 ChemAxon polarizability 15.44 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2416 Specdb::CMs 27262 Specdb::CMs 28355 Specdb::CMs 28975 Specdb::CMs 102023 Specdb::CMs 102024 Specdb::CMs 102025 Specdb::CMs 156071 Specdb::MsIr 8206 Specdb::MsIr 8207 Specdb::NmrOneD 4425 Specdb::NmrOneD 4543 Specdb::NmrOneD 33982 Specdb::NmrOneD 33983 Specdb::NmrOneD 33984 Specdb::NmrOneD 33985 Specdb::NmrOneD 33986 Specdb::NmrOneD 33987 Specdb::NmrOneD 33988 Specdb::NmrOneD 33989 Specdb::NmrOneD 33990 Specdb::NmrOneD 33991 Specdb::NmrOneD 33992 Specdb::NmrOneD 33993 Specdb::NmrOneD 33994 Specdb::NmrOneD 33995 Specdb::NmrOneD 33996 Specdb::NmrOneD 33997 Specdb::NmrOneD 33998 Specdb::NmrOneD 33999 Specdb::NmrOneD 34000 Specdb::NmrOneD 34001 Specdb::MsMs 89838 Specdb::MsMs 89839 Specdb::MsMs 89840 Specdb::MsMs 152847 Specdb::MsMs 152848 Specdb::MsMs 152849 Specdb::MsMs 2288187 Specdb::MsMs 2288188 Specdb::MsMs 2288189 Specdb::MsMs 2647197 Specdb::MsMs 2647198 Specdb::MsMs 2647199 HMDB39618 #<Reference:0x000055ce319abd20> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Fruits Unknown generic Milk and milk products Unknown generic Pomes Unknown generic apricot fruity pineapple rancid solvent sweaty sweet