1.0 2010-04-08 22:15:33 UTC 2018-05-29 01:50:13 UTC FDB021236 Cinnamyl isobutyrate It is used in food flavouring (2E)-3-Phenyl-2-propenyl 2-methylpropanoate 2-Methyl-propanoic acid, 3-phenyl-2-propenyl ester 3-Phenyl-2-propen-1-yl 2-methylpropanoate 3-Phenyl-2-propen-1-yl isobutyrate Cinnamyl 2-methylpropanoate Cinnamyl isobutyrate FEMA 2297 Isobutyric acid, cinnamyl ester Propanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester C13H16O2 204.2649 204.115029756 (2Z)-3-phenylprop-2-en-1-yl 2-methylpropanoate (2Z)-3-phenylprop-2-en-1-yl 2-methylpropanoate 103-59-3 CC(C)C(=O)OC\C=C/C1=CC=CC=C1 InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6- KLKQSZIWHVEARN-TWGQIWQCSA-N belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. Styrenes Organic compounds Benzenoids Benzene and substituted derivatives Styrenes Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Styrene logp 3.82 ALOGPS logs -3.69 ALOGPS solubility 4.13e-02 g/l ALOGPS logp 3.5 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (2Z)-3-phenylprop-2-en-1-yl 2-methylpropanoate ChemAxon average_mass 204.2649 ChemAxon mono_mass 204.115029756 ChemAxon smiles CC(C)C(=O)OC\C=C/C1=CC=CC=C1 ChemAxon formula C13H16O2 ChemAxon inchi InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6- ChemAxon inchikey KLKQSZIWHVEARN-TWGQIWQCSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 61.55 ChemAxon polarizability 23.58 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9193 Specdb::MsIr 9194 Specdb::CMs 19883 Specdb::CMs 157596 Specdb::MsMs 310288 Specdb::MsMs 310289 Specdb::MsMs 310290 Specdb::MsMs 354943 Specdb::MsMs 354944 Specdb::MsMs 354945 Specdb::MsMs 2282527 Specdb::MsMs 2282528 Specdb::MsMs 2282529 Specdb::MsMs 3086773 Specdb::MsMs 3086774 Specdb::MsMs 3086775 HMDB41317 #<Reference:0x00007f08c08042b8> almond cinnamyl fruity spicy sweet tropical