1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:30 UTC FDB015070 2-Methylpropyl (2E)-butenoate Flavouring ingredient 2-Butenoic acid, 2-methylpropyl ester 2-Methylpropyl 2-butenoate 2-Methylpropyl 2E-butenoate 2-Methylpropyl crotonate Crotonic acid, isobutyl ester FEMA 3432 Isobutyl (2E)-2-butenoate Isobutyl 2-butenoate Isobutyl crotonate C8H14O2 142.1956 142.099379692 2-methylpropyl (2Z)-but-2-enoate 2-methylpropyl (2Z)-but-2-enoate 589-66-2 C\C=C/C(=O)OCC(C)C InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4- XDOWKOALJBOBBL-PLNGDYQASA-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 Enoate esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.68 ALOGPS logs -1.91 ALOGPS solubility 1.77e+00 g/l ALOGPS logp 2.54 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 2-methylpropyl (2Z)-but-2-enoate ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles C\C=C/C(=O)OCC(C)C ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4- ChemAxon inchikey XDOWKOALJBOBBL-PLNGDYQASA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 41.48 ChemAxon polarizability 15.97 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9706 Specdb::CMs 168530 Specdb::MsIr 7200 Specdb::MsIr 7201 Specdb::MsMs 287428 Specdb::MsMs 287429 Specdb::MsMs 287430 Specdb::MsMs 326287 Specdb::MsMs 326288 Specdb::MsMs 326289 Specdb::MsMs 2433931 Specdb::MsMs 2433932 Specdb::MsMs 2433933 Specdb::MsMs 2505497 Specdb::MsMs 2505498 Specdb::MsMs 2505499 Specdb::NmrOneD 134338 Specdb::NmrOneD 134339 Specdb::NmrOneD 134340 Specdb::NmrOneD 134341 Specdb::NmrOneD 134342 Specdb::NmrOneD 134343 Specdb::NmrOneD 134344 Specdb::NmrOneD 134345 Specdb::NmrOneD 134346 Specdb::NmrOneD 134347 Specdb::NmrOneD 134348 Specdb::NmrOneD 134349 Specdb::NmrOneD 134350 Specdb::NmrOneD 134351 Specdb::NmrOneD 134352 Specdb::NmrOneD 134353 Specdb::NmrOneD 134354 Specdb::NmrOneD 134355 Specdb::NmrOneD 134356 Specdb::NmrOneD 134357 HMDB36212 #<Reference:0x000055ce333ecb58> dry fruity green pear ripe rummy tropical