1.0 2010-04-08 22:07:58 UTC 2025-11-18 23:07:44 UTC FDB008200 Ethyl heptanoate Found in fruits, e.g. apple, apricot, grapefruit, strawberry etcand is also present in pea, Parmesan cheese, butter, fish oil, hop oil, wine, Bantu beer, apple brandy. Flavouring agent; used in fruit aroma compositions Oenanthic ether is an odorous substance (ester) (PMID 15474656) present in human sweat (PMID 8887339). Aether oenanthicus Cognac oil Enanthic acid ethyl ester Enanthylic ether Ethyl enantate Ethyl enanthate Ethyl ester of heptanoic acid Ethyl heptanoate Ethyl heptanoic acid Ethyl heptoate Ethyl heptoic acid Ethyl heptylate Ethyl n-heptanoate Ethyl n-heptanoic acid Ethyl oenanthate Ethyl oenanthylate FEMA 2437 Grape oil Heptanoic acid ethyl ester Heptanoic acid, ethyl ester Oenanthic ether Oleum vitis viniferae Wine oil C9H18O2 158.238 158.13067982 ethyl heptanoate wine oil 106-30-9 CCCCCCC(=O)OCC InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3 TVQGDYNRXLTQAP-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 fatty acid ethyl ester Liquid logp 3.39 ALOGPS logs -2.72 ALOGPS solubility 3.05e-01 g/l ALOGPS melting_point Fp -66.1° logp 2.76 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl heptanoate ChemAxon average_mass 158.238 ChemAxon mono_mass 158.13067982 ChemAxon smiles CCCCCCC(=O)OCC ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3 ChemAxon inchikey TVQGDYNRXLTQAP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.19 ChemAxon polarizability 19.56 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1489 Specdb::MsIr 864 Specdb::MsIr 865 Specdb::CMs 3061 Specdb::CMs 28389 Specdb::CMs 99607 Specdb::CMs 155282 Specdb::NmrOneD 1545 Specdb::NmrOneD 4689 Specdb::NmrOneD 5043 Specdb::NmrOneD 5044 Specdb::MsMs 1135 Specdb::MsMs 1136 Specdb::MsMs 1137 Specdb::MsMs 4680 Specdb::MsMs 10841 Specdb::MsMs 10842 Specdb::MsMs 10843 Specdb::MsMs 17513 Specdb::MsMs 17514 Specdb::MsMs 17515 Specdb::MsMs 2684949 Specdb::MsMs 2684950 Specdb::MsMs 2684951 Specdb::MsMs 3024666 Specdb::MsMs 3024667 Specdb::MsMs 3024668 HMDB00798 #<Reference:0x000055ce332e9b70> #<Reference:0x000055ce332e9990> Alcoholic beverages Unknown generic Anatidae Type 1 specific Anatidae 8830 Asian pear Type 1 specific Pyrus pyrifolia 3767 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Breakfast cereal Type 2 specific Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cereals and cereal products Unknown generic Chicken Type 1 specific Gallus gallus 9031 Citrus Unknown generic Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Fishes Unknown generic Fruits Unknown generic Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk and milk products Unknown generic Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Pomes Unknown generic Prickly pear Type 1 specific Opuntia 106975 Pulses Unknown generic Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red wine Type 2 0.0 0.0 0.0 mg/100 g Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 cognac fruit fruity melon pineapple plum rum wine