1.0 2010-04-08 22:13:43 UTC 2019-11-26 03:16:10 UTC FDB018448 Ethyl tiglate Flavouring ingredient (E)-2-Butenoic acid, 2-methyl-, ethyl ester (e)-2-Methyl-2-butenoate ethyl ester (E)-2-Methyl-2-butenoic acid ethyl ester (e)-Ethyl 2-methyl-2-butenoate (e)-Ethyl 2-methylcrotonate 2-Butenoic acid, 2-methyl-, ethyl ester 2-Butenoic acid, 2-methyl-, ethyl ester, (2E)- 2-Butenoic acid, 2-methyl-, ethyl ester, (E)- 2-Methyl-ethyl ester(2e)-2-butenoic acid 2-Methyl-ethyl ester(e)-2-butenoic acid 2-Methyl-ethyl ester(e)-crotonic acid Crotonic acid, 2-methyl-, ethyl ester, (E)- Ethyl (2E)-2-methyl-2-butenoate Ethyl (E)-2-methyl-2-butenoate Ethyl (E)-2-methylcrotonate Ethyl &alpha;-methylcrotonate Ethyl 2-methyl-2-butenoate, (E)- Ethyl 2-methylbut-2-enoate Ethyl 2-methylbut-2-enoic acid Ethyl 2-methylcrotonate Ethyl 2-methylcrotonate, (E)- Ethyl alpha -methylcrotonate Ethyl alpha-methylcrotonate Ethyl tiglate Ethyl trans-2-methyl-2-butenoate Ethyl trans-2-methylcrotonate Ethyl-(2E)-methyl-2-butenoate Ethyl-2-methylbut-2-enoate FEMA 2460 Tiglic acid ethyl ester Tiglic acid, ethyl ester Tiglic acid, ethyl ester (6ci,7ci) C7H12O2 128.169 128.083729628 ethyl (2E)-2-methylbut-2-enoate ethyl tiglate 5837-78-5 CCOC(=O)C(\C)=C\C InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+ OAPHLAAOJMTMLY-GQCTYLIASA-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 fatty acid ester logp 2.18 ALOGPS logs -1.33 ALOGPS solubility 6.04e+00 g/l ALOGPS logp 2.05 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac ethyl (2E)-2-methylbut-2-enoate ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CCOC(=O)C(\C)=C\C ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+ ChemAxon inchikey OAPHLAAOJMTMLY-GQCTYLIASA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 36.84 ChemAxon polarizability 14.58 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2442 Specdb::CMs 28464 Specdb::CMs 101996 Specdb::CMs 131832 Specdb::CMs 139566 Specdb::MsIr 8064 Specdb::MsIr 8065 Specdb::NmrOneD 4494 Specdb::NmrOneD 4621 Specdb::NmrOneD 30242 Specdb::NmrOneD 30243 Specdb::NmrOneD 30244 Specdb::NmrOneD 30245 Specdb::NmrOneD 30246 Specdb::NmrOneD 30247 Specdb::NmrOneD 30248 Specdb::NmrOneD 30249 Specdb::NmrOneD 30250 Specdb::NmrOneD 30251 Specdb::NmrOneD 30252 Specdb::NmrOneD 30253 Specdb::NmrOneD 30254 Specdb::NmrOneD 30255 Specdb::NmrOneD 30256 Specdb::NmrOneD 30257 Specdb::NmrOneD 30258 Specdb::NmrOneD 30259 Specdb::NmrOneD 30260 Specdb::NmrOneD 30261 Specdb::MsMs 96183 Specdb::MsMs 96184 Specdb::MsMs 96185 Specdb::MsMs 160626 Specdb::MsMs 160627 Specdb::MsMs 160628 Specdb::MsMs 2717325 Specdb::MsMs 2717326 Specdb::MsMs 2717327 Specdb::MsMs 2961618 Specdb::MsMs 2961619 Specdb::MsMs 2961620 HMDB38962 #<Reference:0x000055ce32156f70> Asian pear Type 1 specific Pyrus pyrifolia 3767 berry caramel floral fruity raspberry sweet tropical tutti frutti