1.0 2010-04-08 22:10:49 UTC 2019-11-26 03:08:44 UTC FDB013618 2-Phenylethyl propanoate Found in guava Pisidium guajava, cheeses, peanut and brandy. Food flavour &beta;-phenylethyl propionate 2-Phenethyl propionate 2-Phenethylpropionate 2-Phenyl ethyl propanoate 2-Phenylethanol, propanoate 2-Phenylethyl propanoate 2-Phenylethyl propionate Benzylcarbinyl propionate beta -Phenylethyl propionate Beta-phenylethyl propionate Ecopco acu FEMA 2867 Japanese beetle bait Phenethyl alcohol, propionate Phenethyl popanoate Phenethyl propanoate Phenethyl propionate Phenylethanol propanoate Phenylethyl n-propionate Phenylethyl propanoate Phenylethyl propionate Propanoic acid, 2-phenylethyl ester PROPANOIC ACID,3-(ETHYL,2-PHENYL) ESTER MFC11 H14 O2 Propionic acid, 2-phenylethyl ester Propionic acid, phenethyl ester C11H14O2 178.2277 178.099379692 2-phenylethyl propanoate 2-phenylethyl propionate 122-70-3 CCC(=O)OCCC1=CC=CC=C1 InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 HVGZQCSMLUDISR-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 logp 2.80 ALOGPS logs -3.25 ALOGPS solubility 1.01e-01 g/l ALOGPS melting_point < 25 oC logp 2.64 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-phenylethyl propanoate ChemAxon average_mass 178.2277 ChemAxon mono_mass 178.099379692 ChemAxon smiles CCC(=O)OCCC1=CC=CC=C1 ChemAxon formula C11H14O2 ChemAxon inchi InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 ChemAxon inchikey HVGZQCSMLUDISR-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.41 ChemAxon polarizability 20.18 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6772 Specdb::MsIr 6773 Specdb::CMs 19454 Specdb::CMs 29075 Specdb::CMs 101682 Specdb::CMs 146757 Specdb::MsMs 60633 Specdb::MsMs 60634 Specdb::MsMs 60635 Specdb::MsMs 116991 Specdb::MsMs 116992 Specdb::MsMs 116993 Specdb::MsMs 2448557 Specdb::MsMs 2448558 Specdb::MsMs 2448559 Specdb::MsMs 2486328 Specdb::MsMs 2486329 Specdb::MsMs 2486330 HMDB35013 #<Reference:0x0000561272b1e858> Alcoholic beverages Unknown generic Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 Fruits Unknown generic Milk and milk products Unknown generic Nuts Unknown generic balsam floral fruity honey red rose styrax