1.0 2010-04-08 22:12:40 UTC 2015-07-20 23:33:09 UTC FDB016833 Heptyl cinnamate Flavouring ingredient 2-Propenoic acid, 3-phenyl-, heptyl ester Cinnamic acid, heptyl ester FEMA 2551 Heptyl 3-phenylpropenoate Heptyl beta-phenylacrylate Heptyl cinnamate C16H22O2 246.3447 246.161979948 heptyl (2Z)-3-phenylprop-2-enoate heptyl (2Z)-3-phenylprop-2-enoate 10032-08-3 CCCCCCCOC(=O)\C=C/C1=CC=CC=C1 InChI=1S/C16H22O2/c1-2-3-4-5-9-14-18-16(17)13-12-15-10-7-6-8-11-15/h6-8,10-13H,2-5,9,14H2,1H3/b13-12- DCXNRXBLAGAHIL-SEYXRHQNSA-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 5.33 ALOGPS logs -5.63 ALOGPS solubility 5.72e-04 g/l ALOGPS logp 5.17 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac heptyl (2Z)-3-phenylprop-2-enoate ChemAxon average_mass 246.3447 ChemAxon mono_mass 246.161979948 ChemAxon smiles CCCCCCCOC(=O)\C=C/C1=CC=CC=C1 ChemAxon formula C16H22O2 ChemAxon inchi InChI=1S/C16H22O2/c1-2-3-4-5-9-14-18-16(17)13-12-15-10-7-6-8-11-15/h6-8,10-13H,2-5,9,14H2,1H3/b13-12- ChemAxon inchikey DCXNRXBLAGAHIL-SEYXRHQNSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 75.51 ChemAxon polarizability 30.27 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22525 Specdb::CMs 152355 Specdb::MsMs 316042 Specdb::MsMs 316043 Specdb::MsMs 316044 Specdb::MsMs 362191 Specdb::MsMs 362192 Specdb::MsMs 362193 Specdb::MsMs 3057209 Specdb::MsMs 3057210 Specdb::MsMs 3057211 Specdb::MsMs 3113603 Specdb::MsMs 3113604 Specdb::MsMs 3113605 HMDB37705 #<Reference:0x000055ce32575250> fleafy green hyacinth