1.0 2010-04-08 22:15:33 UTC 2019-11-26 03:20:05 UTC FDB021235 Cinnamyl butyrate Cinnamyl butyrate is used in orange and citrus food flavouring. It is found in apple. (2E)-3-Phenyl-2-propenyl butyrate 3-Phenyl-2-propen-1-yl butanoate 3-Phenyl-2-propen-1-yl butyrate 3-Phenyl-2-propenyl butanoate 3-Phenylallyl butyrate Butanoic acid, 3-phenyl-2-propen-1-yl ester Butanoic acid, 3-phenyl-2-propenyl ester Butynoic acid, 3-phenyl-2-propenyl ester Butyric acid, cinnamyl ester Cinnamyl butanoate Cinnamyl butyrate Cinnamyl n-butyrate FEMA 2296 Phenylpropenyl n-butyrate C13H16O2 204.2649 204.115029756 (2Z)-3-phenylprop-2-en-1-yl butanoate (2Z)-3-phenylprop-2-en-1-yl butanoate 103-61-7 CCCC(=O)OC\C=C/C1=CC=CC=C1 InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6- YZYPQKZWNXANRB-POHAHGRESA-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 Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Styrene logp 3.88 ALOGPS logs -3.81 ALOGPS solubility 3.19e-02 g/l ALOGPS logp 3.4 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2Z)-3-phenylprop-2-en-1-yl butanoate ChemAxon average_mass 204.2649 ChemAxon mono_mass 204.115029756 ChemAxon smiles CCCC(=O)OC\C=C/C1=CC=CC=C1 ChemAxon formula C13H16O2 ChemAxon inchi InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6- ChemAxon inchikey YZYPQKZWNXANRB-POHAHGRESA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 61.57 ChemAxon polarizability 23.5 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9191 Specdb::MsIr 9192 Specdb::CMs 21279 Specdb::CMs 155782 Specdb::MsMs 313333 Specdb::MsMs 313334 Specdb::MsMs 313335 Specdb::MsMs 358798 Specdb::MsMs 358799 Specdb::MsMs 358800 Specdb::MsMs 2749000 Specdb::MsMs 2749001 Specdb::MsMs 2749002 Specdb::MsMs 2932944 Specdb::MsMs 2932945 Specdb::MsMs 2932946 HMDB41316 #<Reference:0x000055ce31eaee30> Pomes Unknown generic balsamic cinnamyl cognac fruity soft winey