1.0 2010-04-08 22:04:47 UTC 2015-07-20 21:36:28 UTC FDB000966 Ethyl (±)-2-methyl-4-pentenoate Flavouring agent 2-Methyl-4-pentenoic acid ethyl ester 4-Pentenoic acid, 2-methyl-, ethyl ester Ethyl (±)-2-methyl-4-pentenoate Ethyl 2-methyl 4-pentenoate Ethyl 2-methyl-4-pentanoate Ethyl 2-methyl-4-pentenoate Ethyl 2-methylpent-4-en-1-oate FEMA 3489 C8H14O2 142.1956 142.099379692 ethyl 2-methylpent-4-enoate ethyl 2-methylpent-4-enoate 53399-81-8 CCOC(=O)C(C)CC=C InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3 BDBGKYIBDXAVMX-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 2.36 ALOGPS logs -1.64 ALOGPS solubility 3.29e+00 g/l ALOGPS logp 2.11 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl 2-methylpent-4-enoate ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CCOC(=O)C(C)CC=C ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3 ChemAxon inchikey BDBGKYIBDXAVMX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.61 ChemAxon polarizability 16.18 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3702 Specdb::MsIr 3703 Specdb::NmrOneD 16142 Specdb::NmrOneD 16143 Specdb::NmrOneD 16144 Specdb::NmrOneD 16145 Specdb::NmrOneD 16146 Specdb::NmrOneD 16147 Specdb::NmrOneD 16148 Specdb::NmrOneD 16149 Specdb::NmrOneD 16150 Specdb::NmrOneD 16151 Specdb::NmrOneD 16152 Specdb::NmrOneD 16153 Specdb::NmrOneD 16154 Specdb::NmrOneD 16155 Specdb::NmrOneD 16156 Specdb::NmrOneD 16157 Specdb::NmrOneD 16158 Specdb::NmrOneD 16159 Specdb::NmrOneD 16160 Specdb::NmrOneD 16161 Specdb::CMs 26221 Specdb::CMs 149726 Specdb::MsMs 96342 Specdb::MsMs 96343 Specdb::MsMs 96344 Specdb::MsMs 160800 Specdb::MsMs 160801 Specdb::MsMs 160802 Specdb::MsMs 2331803 Specdb::MsMs 2331804 Specdb::MsMs 2331805 Specdb::MsMs 2630372 Specdb::MsMs 2630373 Specdb::MsMs 2630374 HMDB29761 #<Reference:0x000055ce2dc28f20> banana cooling fruity green pineapple pungent sweet