1.0 2010-04-08 22:14:44 UTC 2018-05-29 01:44:33 UTC FDB020020 Ethyl 2-ethylbutanoate It is used as a food additive 2-Ethyl-n-butyric acid ethyl ester Butanoic acid, 2-ethyl-, ethyl ester Ethyl 2-ethylbutanoate Ethyl 2-ethylbutyrate C8H16O2 144.2114 144.115029756 ethyl 2-ethylbutanoate ethyl 2-ethylbutanoate 2983-38-2 CCOC(=O)C(CC)CC InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3 MJGSLNIPTRPYJV-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 2.65 ALOGPS logs -1.81 ALOGPS solubility 2.21e+00 g/l ALOGPS logp 2.41 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl 2-ethylbutanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCOC(=O)C(CC)CC ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3 ChemAxon inchikey MJGSLNIPTRPYJV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.56 ChemAxon polarizability 16.9 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9289 Specdb::CMs 29116 Specdb::CMs 102123 Specdb::CMs 171733 Specdb::MsIr 8897 Specdb::MsIr 8898 Specdb::NmrOneD 39682 Specdb::NmrOneD 39683 Specdb::NmrOneD 39684 Specdb::NmrOneD 39685 Specdb::NmrOneD 39686 Specdb::NmrOneD 39687 Specdb::NmrOneD 39688 Specdb::NmrOneD 39689 Specdb::NmrOneD 39690 Specdb::NmrOneD 39691 Specdb::NmrOneD 39692 Specdb::NmrOneD 39693 Specdb::NmrOneD 39694 Specdb::NmrOneD 39695 Specdb::NmrOneD 39696 Specdb::NmrOneD 39697 Specdb::NmrOneD 39698 Specdb::NmrOneD 39699 Specdb::NmrOneD 39700 Specdb::NmrOneD 39701 Specdb::MsMs 46458 Specdb::MsMs 46459 Specdb::MsMs 46460 Specdb::MsMs 113985 Specdb::MsMs 113986 Specdb::MsMs 113987 Specdb::MsMs 2440174 Specdb::MsMs 2440175 Specdb::MsMs 2440176 Specdb::MsMs 2525100 Specdb::MsMs 2525101 Specdb::MsMs 2525102 HMDB40298 #<Reference:0x000056127328f650>