1.0 2010-04-08 22:14:44 UTC 2018-05-29 01:44:31 UTC FDB020018 Propyl pentanoate It is used in pineapple flavours N-propyl n-valerate N-propyl pentanoate N-propyl valerate Pentanoic acid, propyl ester Pentanoic acid, propyl ester (9CI) Propyl pentanoate Propyl valerate Valeric acid, propyl ester Valeric acid, propyl ester (8CI) C8H16O2 144.2114 144.115029756 propyl pentanoate dipropyl acetate 141-06-0 CCCCC(=O)OCCC InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3 ROJKPKOYARNFNB-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 Liquid logp 2.82 ALOGPS logs -2.01 ALOGPS solubility 1.42e+00 g/l ALOGPS melting_point -70.7 oC logp 2.39 ChemAxon pka_strongest_basic -7 ChemAxon iupac propyl pentanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCC(=O)OCCC ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3 ChemAxon inchikey ROJKPKOYARNFNB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.51 ChemAxon polarizability 17.48 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8893 Specdb::MsIr 8894 Specdb::CMs 16515 Specdb::CMs 28687 Specdb::CMs 102120 Specdb::CMs 135110 Specdb::CMs 142844 Specdb::MsMs 99363 Specdb::MsMs 99364 Specdb::MsMs 99365 Specdb::MsMs 164496 Specdb::MsMs 164497 Specdb::MsMs 164498 Specdb::MsMs 2807927 Specdb::MsMs 2807928 Specdb::MsMs 2807929 Specdb::MsMs 2897439 Specdb::MsMs 2897440 Specdb::MsMs 2897441 HMDB40296 #<Reference:0x000055ce320529f8> animal ethereal fruity metallic pineapple