1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:42 UTC FDB015083 Pentyl heptanoate Flavouring ingredient Amyl enanthate Amyl heptanoate Amyl heptoate Amyl heptylate Amyl oenanthate FEMA 2073 Heptanoic acid, pentyl ester Pentyl heptanoate C12H24O2 200.3178 200.177630012 pentyl heptanoate heptanoic acid, pentyl ester 7493-82-5 CCCCCCC(=O)OCCCCC InChI=1S/C12H24O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h3-11H2,1-2H3 PSQMUBJRXIGVIT-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 logp 4.70 ALOGPS logs -4.22 ALOGPS solubility 1.22e-02 g/l ALOGPS melting_point Mp -49.5° logp 4.17 ChemAxon pka_strongest_basic -7 ChemAxon iupac pentyl heptanoate ChemAxon average_mass 200.3178 ChemAxon mono_mass 200.177630012 ChemAxon smiles CCCCCCC(=O)OCCCCC ChemAxon formula C12H24O2 ChemAxon inchi InChI=1S/C12H24O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h3-11H2,1-2H3 ChemAxon inchikey PSQMUBJRXIGVIT-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 58.92 ChemAxon polarizability 25.86 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14494 Specdb::CMs 28303 Specdb::CMs 101808 Specdb::CMs 171166 Specdb::MsIr 7211 Specdb::MsIr 7212 Specdb::MsMs 79116 Specdb::MsMs 79117 Specdb::MsMs 79118 Specdb::MsMs 139632 Specdb::MsMs 139633 Specdb::MsMs 139634 Specdb::MsMs 2432662 Specdb::MsMs 2432663 Specdb::MsMs 2432664 Specdb::MsMs 2502608 Specdb::MsMs 2502609 Specdb::MsMs 2502610 HMDB36225 #<Reference:0x000055ce31e803c8> coconut ethereal fruity lemon unripe banana