1.0 2010-04-08 22:12:18 UTC 2015-07-20 23:26:57 UTC FDB016200 Ethyl 2-methyl-3,4-pentadienoate Flavouring ingredient 2-Methyl-3,4-pentadienoic acid, ethyl ester 3,4-Pentadienoic acid, 2-methyl-, ethyl ester Ethyl 2-methyl-3,4-pentadienoate Ethyl 2-methylpenta-3,4-dienoate FEMA 3678 C8H12O2 140.1797 140.083729628 ethyl 2-methylpenta-3,4-dienoate ethyl 2-methylpenta-3,4-dienoate 60523-21-9 CCOC(=O)C(C)C=C=C InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3 DDZLNKMWFGDTAX-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 2.40 ALOGPS logs -1.30 ALOGPS solubility 7.05e+00 g/l ALOGPS logp 1.9 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl 2-methylpenta-3,4-dienoate ChemAxon average_mass 140.1797 ChemAxon mono_mass 140.083729628 ChemAxon smiles CCOC(=O)C(C)C=C=C ChemAxon formula C8H12O2 ChemAxon inchi InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3 ChemAxon inchikey DDZLNKMWFGDTAX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.29 ChemAxon polarizability 15.66 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7465 Specdb::MsIr 7466 Specdb::MsMs 85317 Specdb::MsMs 85318 Specdb::MsMs 85319 Specdb::MsMs 147396 Specdb::MsMs 147397 Specdb::MsMs 147398 Specdb::MsMs 2396505 Specdb::MsMs 2396506 Specdb::MsMs 2396507 Specdb::MsMs 2542196 Specdb::MsMs 2542197 Specdb::MsMs 2542198 Specdb::CMs 20762 Specdb::CMs 136606 Specdb::CMs 144340 Specdb::NmrOneD 139410 Specdb::NmrOneD 139411 Specdb::NmrOneD 139412 Specdb::NmrOneD 139413 Specdb::NmrOneD 139414 Specdb::NmrOneD 139415 Specdb::NmrOneD 139416 Specdb::NmrOneD 139417 Specdb::NmrOneD 139418 Specdb::NmrOneD 139419 Specdb::NmrOneD 139420 Specdb::NmrOneD 139421 Specdb::NmrOneD 139422 Specdb::NmrOneD 139423 Specdb::NmrOneD 139424 Specdb::NmrOneD 139425 Specdb::NmrOneD 139426 Specdb::NmrOneD 139427 Specdb::NmrOneD 139428 Specdb::NmrOneD 139429 HMDB37196 #<Reference:0x000055ce327304f0> fruity green rum strawberry sweet tropical tutti frutti