1.0 2010-04-08 22:14:44 UTC 2019-11-26 03:18:20 UTC FDB020019 Ethyl pentanoate Present in wines, Bantu beer, sake, honey, apple, banana, morello cherry, guava and other fruits. Flavouring agent Ethyl pentanoate, also commonly known as ethyl valerate, is an organic compound used in flavors. It is an ester with the molecular formula C7H14O2. This colourless liquid is poorly soluble in water but miscible with organic solvents. Ethyl pentanoate is found in many foods, some of which are sweet bay, pomes, apple, and spearmint. Ethyl n-valerate Ethyl pentanoate Ethyl valerate Ethyl valerianate FEMA 2462 N-valeric acid ethyl ester Pentanoic acid, ethyl ester Valeric acid, ethyl ester Valeric acid, ethyl ester (8CI) C7H14O2 130.1849 130.099379692 ethyl pentanoate ethyl valerate 539-82-2 CCCCC(=O)OCC InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3 ICMAFTSLXCXHRK-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 2.36 ALOGPS logs -1.55 ALOGPS solubility 3.71e+00 g/l ALOGPS melting_point -91.2 oC logp 1.87 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl pentanoate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCCCC(=O)OCC ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3 ChemAxon inchikey ICMAFTSLXCXHRK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.99 ChemAxon polarizability 15.41 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55005 Specdb::MsMs 55006 Specdb::MsMs 55007 Specdb::MsMs 147939 Specdb::MsMs 147940 Specdb::MsMs 147941 Specdb::MsMs 2314469 Specdb::MsMs 2314470 Specdb::MsMs 2314471 Specdb::MsMs 2621264 Specdb::MsMs 2621265 Specdb::MsMs 2621266 Specdb::MsIr 8895 Specdb::MsIr 8896 Specdb::CMs 2712 Specdb::CMs 27877 Specdb::CMs 28706 Specdb::CMs 102121 Specdb::CMs 102122 Specdb::CMs 145932 Specdb::NmrOneD 4488 Specdb::NmrOneD 4615 Specdb::NmrOneD 39662 Specdb::NmrOneD 39663 Specdb::NmrOneD 39664 Specdb::NmrOneD 39665 Specdb::NmrOneD 39666 Specdb::NmrOneD 39667 Specdb::NmrOneD 39668 Specdb::NmrOneD 39669 Specdb::NmrOneD 39670 Specdb::NmrOneD 39671 Specdb::NmrOneD 39672 Specdb::NmrOneD 39673 Specdb::NmrOneD 39674 Specdb::NmrOneD 39675 Specdb::NmrOneD 39676 Specdb::NmrOneD 39677 Specdb::NmrOneD 39678 Specdb::NmrOneD 39679 Specdb::NmrOneD 39680 Specdb::NmrOneD 39681 HMDB40297 #<Reference:0x000055ce318e3758> Alcoholic beverages Unknown generic Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Pomes Unknown generic Spearmint Type 1 specific Mentha spicata 29719 Sweet bay Type 1 specific Laurus nobilis 85223 Sweet cherry Type 1 specific Prunus avium 42229 apple fruit fruity green pineapple sweet tropical yeast Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.