1.0 2010-04-08 22:14:40 UTC 2019-11-26 03:18:01 UTC FDB019907 Ethyl octanoate It is used in many fruit flavourings. Constituent of plant oilsand is) also present in Swiss cheese, Camembert cheese, wheat bread, port wine, plum brandy, sparkling wine, apple, apricot, banana, cherry, orange, grapefruit, plum and other fruits. Ethyl octanoate is found in many foods, some of which are milk and milk products, guava, cereals and cereal products, and pepper (c. frutescens). Caprylic acid ethyl ester Caprylic acid ethylester Ethyl caprylate Ethyl caprylic acid Ethyl ester octanoic acid Ethyl n-octanoate Ethyl octanoate Ethyl octoate Ethyl octylate FEMA 2449 N-caprylic acid ethyl ester Octanoic acid ethyl ester (ethyl octanoate) Octanoic acid, ethyl ester C10H20O2 172.2646 172.146329884 ethyl octanoate ethyl octanoate 106-32-1 CCCCCCCC(=O)OCC InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3 YYZUSRORWSJGET-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 Wax monoesters fatty acid ethyl ester octanoate ester Liquid logp 3.94 ALOGPS logs -3.33 ALOGPS solubility 8.13e-02 g/l ALOGPS melting_point -43.1 oC logp 3.2 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl octanoate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCCCCCCC(=O)OCC ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3 ChemAxon inchikey YYZUSRORWSJGET-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.79 ChemAxon polarizability 21.5 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3439 Specdb::CMs 27854 Specdb::CMs 27888 Specdb::CMs 28307 Specdb::CMs 102056 Specdb::CMs 102057 Specdb::CMs 102058 Specdb::CMs 136586 Specdb::CMs 144320 Specdb::NmrOneD 4426 Specdb::NmrOneD 4544 Specdb::MsIr 8752 Specdb::MsIr 8753 Specdb::MsMs 60081 Specdb::MsMs 60082 Specdb::MsMs 60083 Specdb::MsMs 116346 Specdb::MsMs 116347 Specdb::MsMs 116348 Specdb::MsMs 2700934 Specdb::MsMs 2700935 Specdb::MsMs 2700936 Specdb::MsMs 3007268 Specdb::MsMs 3007269 Specdb::MsMs 3007270 HMDB40195 #<Reference:0x000055ce32c08a18> Alcoholic beverages Unknown generic Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Beer Type 2 specific 0.645929 3.2 0.0 mg/100 g Black tea Type 1 Blackberry Type 1 specific Rubus Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Citrus Unknown generic Cloves Type 1 specific Syzygium aromaticum 219868 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Green tea Type 1 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Milk and milk products Unknown generic Papaya Type 1 specific Carica papaya 3649 Pear Type 1 specific Pyrus communis 23211 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Pineapple Type 1 specific Ananas comosus 4615 Pomes Unknown generic Prickly pear Type 1 specific Opuntia 106975 Red tea Type 1 Red wine Type 2 2110.746138 8433.55 0.001 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 Tea Type 1 specific Camellia sinensis 4442 White wine Type 2 1.095 2.19 0.0 mg/100 g apricot banana brandy fat fruit fruity pear sweet waxy wine