1.0 2010-04-08 22:09:38 UTC 2019-11-26 03:04:55 UTC FDB011417 3-Phenylpropyl acetate 3-Phenylpropyl acetate is a flavouring ingredient. It is found in many foods, some of which are chinese cinnamon, fruits, ceylon cinnamon, and alcoholic beverages. (3-Acetoxypropyl)benzene &laquo;gamma&raquo;-phenylpropyl acetate 1-Acetoxy-3-phenylpropane 1-Propanol, 3-phenyl-, acetate 3-Acetoxy-1-phenylpropane 3-Phenyl-1-propanol, acetate 3-Phenyl-1-propyl acetate 3-Phenylpropyl acetate Benzenepropanol, 1-acetate Benzenepropanol, acetate Benzenepropyl acetate FEMA 2890 Hydrocinnamyl acetate Hydrocinnamyl acetic acid Laquo gammaraquo -phenylpropyl acetate Phenylpropyl acetate C11H14O2 178.2277 178.099379692 3-phenylpropyl acetate benzenepropanol, acetate 122-72-5 CC(=O)OCCCC1=CC=CC=C1 InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3 JRJGKUTZNBZHNK-UHFFFAOYSA-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 benzenes logp 2.88 ALOGPS logs -3.59 ALOGPS solubility 4.54e-02 g/l ALOGPS logp 2.38 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-phenylpropyl acetate ChemAxon average_mass 178.2277 ChemAxon mono_mass 178.099379692 ChemAxon smiles CC(=O)OCCCC1=CC=CC=C1 ChemAxon formula C11H14O2 ChemAxon inchi InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3 ChemAxon inchikey JRJGKUTZNBZHNK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.38 ChemAxon polarizability 20.3 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23511 Specdb::CMs 27604 Specdb::CMs 27959 Specdb::CMs 28275 Specdb::CMs 101340 Specdb::CMs 101341 Specdb::CMs 101342 Specdb::CMs 135311 Specdb::CMs 143045 Specdb::MsIr 6081 Specdb::MsIr 6082 Specdb::MsMs 67173 Specdb::MsMs 67174 Specdb::MsMs 67175 Specdb::MsMs 124923 Specdb::MsMs 124924 Specdb::MsMs 124925 Specdb::MsMs 2275599 Specdb::MsMs 2275600 Specdb::MsMs 2275601 Specdb::MsMs 3093331 Specdb::MsMs 3093332 Specdb::MsMs 3093333 HMDB33386 #<Reference:0x0000561271a9cea8> Alcoholic beverages Unknown generic Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 3.25 3.25 3.25 mg/100 g Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Fruits Unknown generic Muskmelon Type 1 specific Cucumis melo 3656 balsam bitter cinnamon spicy storax sweet flavor 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.