1.0 2010-04-08 22:12:40 UTC 2015-07-20 23:33:08 UTC FDB016832 Isoamyl cinnamate Flavouring ingredient 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)- 3-methylbutyl (2E)-3-phenylacrylate 3-Methylbutyl 3-phenyl-2-propenoate 3-Phenyl-3-methylbutyl ester(e)-2-propenoic acid 3-Phenyl-acrylic acid, 3-methyl-butyl ester Cinnamic acid, isopentyl ester Cinnamic acid, isopentyl ester (8CI) FEMA 2063 Isoamyl 3-phenyl propenoate Isoamyl beta-phenylacrylate Isoamyl cinnamate Isopentyl (2E)-3-phenyl-2-propenoate Isopentyl 3-phenylacrylate Isopentyl 3-phenylpropenoate Isopentyl alcohol, cinnamate Isopentyl beta-phenylacrylate Isopentyl cinnamate C14H18O2 218.2915 218.13067982 3-methylbutyl (2Z)-3-phenylprop-2-enoate 3-methylbutyl (2Z)-3-phenylprop-2-enoate 7779-65-9 CC(C)CCOC(=O)\C=C/C1=CC=CC=C1 InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8- JFHCDEYLWGVZMX-HJWRWDBZSA-N belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. Cinnamic acid esters Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Aromatic homomonocyclic compounds Carbonyl compounds Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Styrenes Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Styrene logp 4.36 ALOGPS logs -4.50 ALOGPS solubility 6.98e-03 g/l ALOGPS logp 4.13 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 3-methylbutyl (2Z)-3-phenylprop-2-enoate ChemAxon average_mass 218.2915 ChemAxon mono_mass 218.13067982 ChemAxon smiles CC(C)CCOC(=O)\C=C/C1=CC=CC=C1 ChemAxon formula C14H18O2 ChemAxon inchi InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8- ChemAxon inchikey JFHCDEYLWGVZMX-HJWRWDBZSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 66.25 ChemAxon polarizability 25.36 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26280 Specdb::CMs 170715 Specdb::MsMs 324217 Specdb::MsMs 324218 Specdb::MsMs 324219 Specdb::MsMs 372574 Specdb::MsMs 372575 Specdb::MsMs 372576 Specdb::MsMs 2373114 Specdb::MsMs 2373115 Specdb::MsMs 2373116 Specdb::MsMs 2565707 Specdb::MsMs 2565708 Specdb::MsMs 2565709 HMDB37704 #<Reference:0x000055ce31e2ca48> amber cocoa floral musty orchid