1.0 2010-04-08 22:11:37 UTC 2015-07-20 23:14:19 UTC FDB015063 alpha-Amylcinnamyl isovalerate Flavouring ingredient 2-(Phenylmethylene)heptyl 3-methylbutanoate 2-Benzylidene-1-heptyl isovalerate 2-Benzylideneheptyl isovalerate a-Amylcinnamyl isovalerate alpha-Amyl-beta-phenylacryl 3-methylbutanoate Alpha-amylcinnamyl isovalerate Alpha-amylcinnamyl isovalerianate Alpha-pentylcinnamyl isovalerate Butanoic acid, 3-methyl-, 2-(phenylmethylene)heptyl ester FEMA 2067 Isovaleric acid, beta-pentylcinnamyl ester C19H28O2 288.4244 288.20893014 (2Z)-2-(phenylmethylidene)heptyl 3-methylbutanoate (2Z)-2-(phenylmethylidene)heptyl 3-methylbutanoate 7493-80-3 CCCCC\C(COC(=O)CC(C)C)=C\C1=CC=CC=C1 InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14- RNKTVAMGERKTEZ-JXAWBTAJSA-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 Aromatic homomonocyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 5.87 ALOGPS logs -5.46 ALOGPS solubility 9.92e-04 g/l ALOGPS logp 5.71 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2Z)-2-(phenylmethylidene)heptyl 3-methylbutanoate ChemAxon average_mass 288.4244 ChemAxon mono_mass 288.20893014 ChemAxon smiles CCCCC\C(COC(=O)CC(C)C)=C\C1=CC=CC=C1 ChemAxon formula C19H28O2 ChemAxon inchi InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14- ChemAxon inchikey RNKTVAMGERKTEZ-JXAWBTAJSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 88.81 ChemAxon polarizability 35.43 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20260 Specdb::CMs 153472 Specdb::MsMs 88545 Specdb::MsMs 88546 Specdb::MsMs 88547 Specdb::MsMs 151290 Specdb::MsMs 151291 Specdb::MsMs 151292 Specdb::MsMs 2680344 Specdb::MsMs 2680345 Specdb::MsMs 2680346 Specdb::MsMs 3025533 Specdb::MsMs 3025534 Specdb::MsMs 3025535 HMDB36205 #<Reference:0x000055ce32a1ff80> fruity oily tobacco