1.0 2010-04-08 22:04:47 UTC 2025-11-18 22:26:51 UTC FDB000968 Pentyl pentanoate Pentyl pentanoate, also known as pentyl pentanoic acid, is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Pentyl pentanoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Pentyl pentanoate is an apple, fruity, and ripe tasting compound found in peppermint, which makes pentyl pentanoate a potential biomarker for the consumption of this food product. Pentyl pentanoate (C4H9COOC5H11) is an ester used in dilute solution to replicate the scent or flavour of apple, and sometimes pineapple. It is referred to as pentyl valerate or amyl pentanoate using classical nomenclature. it can be used for a variety of chemical uses, such as in the production of flavoured products, like sweets . 1-Pentyl n-valerate Amyl valerate Amyl valerianate N-amyl n-valerate N-pentyl valerate Pentanoic acid, pentyl ester Pentyl ester of pentanoic acid Pentyl pentanoate Pentyl valerate Valeric acid, pentyl ester Valeric acid, pentyl ester (8CI) C10H20O2 172.2646 172.146329884 pentyl pentanoate pentyl pentanoate 2173-56-0 CCCCCOC(=O)CCCC InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3 FGPPDYNPZTUNIU-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 3.76 ALOGPS logs -3.15 ALOGPS solubility 1.21e-01 g/l ALOGPS melting_point Mp ?79° logp 3.28 ChemAxon pka_strongest_basic -7 ChemAxon iupac pentyl pentanoate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCCCCOC(=O)CCCC ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3 ChemAxon inchikey FGPPDYNPZTUNIU-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.72 ChemAxon polarizability 21.49 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96441 Specdb::MsMs 96442 Specdb::MsMs 96443 Specdb::MsMs 160923 Specdb::MsMs 160924 Specdb::MsMs 160925 Specdb::CMs 28689 Specdb::CMs 34781 31011 Peppermint Type 1 specific Mentha X piperita 34256 0.055 0.055 0.055 mg/100 g apple fruity ripe