1.0 2010-04-08 22:11:37 UTC 2015-07-20 23:14:21 UTC FDB015064 alpha-Amylcinnamyl formate Flavouring ingredient 1-Heptanol, 2-(phenylmethylene)-, formate 1-Heptanol, 2-benzylidene-, formate 2-(Phenylmethylene)-1-heptyl formate 2-(Phenylmethylene)heptyl formate 2-Benzylidene-1-heptyl formate a-Amylcinnamyl formate Alpha-amyl-beta-phenylacryl isovalerate Alpha-amylcinnamyl formate Alpha-pentylcinnamyl formate FEMA 2066 C15H20O2 232.3181 232.146329884 (2Z)-2-(phenylmethylidene)heptyl formate (2Z)-2-(phenylmethylidene)heptyl formate 7493-79-0 CCCCC\C(COC=O)=C\C1=CC=CC=C1 InChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11- AWNFWGNFOOJDNO-PTNGSMBKSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives 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 Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 4.62 ALOGPS logs -4.59 ALOGPS solubility 5.93e-03 g/l ALOGPS logp 4.23 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac (2Z)-2-(phenylmethylidene)heptyl formate ChemAxon average_mass 232.3181 ChemAxon mono_mass 232.146329884 ChemAxon smiles CCCCC\C(COC=O)=C\C1=CC=CC=C1 ChemAxon formula C15H20O2 ChemAxon inchi InChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11- ChemAxon inchikey AWNFWGNFOOJDNO-PTNGSMBKSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 70.54 ChemAxon polarizability 27.56 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10635 Specdb::CMs 171401 Specdb::MsMs 78156 Specdb::MsMs 78157 Specdb::MsMs 78158 Specdb::MsMs 138429 Specdb::MsMs 138430 Specdb::MsMs 138431 Specdb::MsMs 2346428 Specdb::MsMs 2346429 Specdb::MsMs 2346430 Specdb::MsMs 2593045 Specdb::MsMs 2593046 Specdb::MsMs 2593047 HMDB36206 #<Reference:0x000055ce32833258> green herbal oily sweet