1.0 2010-04-08 22:09:59 UTC 2019-11-26 03:06:08 UTC FDB012082 Ethyl butyrate Present in many fruits e.g. apple, apricot, banana, plum, tangerine etc. Flavouring ingredient Ethyl butyrate, also known as ethyl butanoate, or butyric ether, is an ester with the chemical formula CH3CH2CH2COOCH2CH3, with one oxygen having a double bond. It is soluble in propylene glycol, paraffin oil and kerosene.; It can be synthesized by reacting ethanol and butyric acid. This is a condensation reaction, meaning water is produced in the reaction as a byproduct. Ethyl butyrate is found in many foods, some of which are fig, citrus, passion fruit, and apple. Butanoic acid ethyl ester Butyrate ethyl ester Butyric acid ethyl ester Butyric ester Butyric ether Ethyl 1-butyrate Ethyl butanoate Ethyl butyrate Ethyl ester of butanoic acid Ethyl n-butanoate Ethyl n-butyrate FEMA 2427 N-butyric acid ethyl ester C6H12O2 116.1583 116.083729628 ethyl butanoate ethyl butyrate 105-54-4 CCCC(=O)OCC InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 OBNCKNCVKJNDBV-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 1.80 ALOGPS logs -0.99 ALOGPS solubility 1.18e+01 g/l ALOGPS melting_point Fp -93.3° logp 1.42 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl butanoate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCCC(=O)OCC ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 ChemAxon inchikey OBNCKNCVKJNDBV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.39 ChemAxon polarizability 13.24 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1676 Specdb::CMs 2592 Specdb::CMs 27261 Specdb::CMs 27807 Specdb::CMs 28112 Specdb::CMs 28353 Specdb::CMs 101427 Specdb::CMs 101428 Specdb::CMs 101429 Specdb::CMs 101430 Specdb::CMs 173975 Specdb::MsIr 6330 Specdb::MsIr 6331 Specdb::MsMs 8549 Specdb::MsMs 8550 Specdb::MsMs 8551 Specdb::MsMs 15221 Specdb::MsMs 15222 Specdb::MsMs 15223 Specdb::MsMs 2246117 Specdb::MsMs 2248160 Specdb::MsMs 2296679 Specdb::MsMs 2296680 Specdb::MsMs 2296681 Specdb::MsMs 2642043 Specdb::MsMs 2642044 Specdb::MsMs 2642045 Specdb::NmrOneD 3773 Specdb::NmrOneD 4031 Specdb::NmrOneD 123438 Specdb::NmrOneD 123439 Specdb::NmrOneD 123440 Specdb::NmrOneD 123441 Specdb::NmrOneD 123442 Specdb::NmrOneD 123443 Specdb::NmrOneD 123444 Specdb::NmrOneD 123445 Specdb::NmrOneD 123446 Specdb::NmrOneD 123447 Specdb::NmrOneD 123448 Specdb::NmrOneD 123449 Specdb::NmrOneD 123450 Specdb::NmrOneD 123451 Specdb::NmrOneD 123452 Specdb::NmrOneD 123453 Specdb::NmrOneD 123454 Specdb::NmrOneD 123455 Specdb::NmrOneD 123456 Specdb::NmrOneD 123457 HMDB33889 #<Reference:0x000055ce3303fc58> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 Citrus Unknown generic Cucumber Type 1 specific Cucumis sativus 3659 Evergreen blackberry Type 1 specific Rubus laciniatus Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Guava Type 1 specific Psidium guajava 120290 Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 Papaya Type 1 specific Carica papaya 3649 Passion fruit Type 1 specific Passiflora edulis 78168 Pineapple Type 1 specific Ananas comosus 4615 Pomes Unknown generic Prickly pear Type 1 specific Opuntia 106975 Red wine Type 2 32.5325 130.0 0.0 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 Sweet orange Type 1 specific Citrus sinensis 2711 0.055 0.055 0.055 mg/100 g White wine Type 2 0.06 0.18 0.0 mg/100 g apple banana cognac fruit fruity juicy pineapple Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.