1.0 2010-04-08 22:09:11 UTC 2019-11-26 03:03:48 UTC FDB010560 Ethyl phenylacetate Ethyl phenylacetate is an odoriferous constituent of many plants. It is found in many foods, some of which are apple, grapefruit, guava fruit, papaya, melon, pineapple, wheat bread, crispbread, wines, fruit brandies, shoyu, bael (Aegle marmelos), sake, and ceriman (Monstera deliciosa). It can be used as a flavouring ingredient. &alpha;-toluic acid, ethyl ester Acetic acid, phenyl-, ethyl ester alpha -Toluic acid, ethyl ester Alpha-toluic acid, ethyl ester Benzeneacetic acid, ethyl ester Ethyl &alpha;-toluate ethyl 2-phenylacetate Ethyl 2-phenylethanoate Ethyl alpha -toluate Ethyl alpha-toluate Ethyl benzeneacetate Ethyl phenacetate Ethyl phenylacetate Ethyl phenylethanoate FEMA 2452 Phenyl-acetic acid ethyl ester Phenyl-acetic acid, ethyl ester Phenyl-acetic acid,ethyl ester Phenylacetic acid ethyl ester Phenylacetic acid, ethyl ester C10H12O2 164.2011 164.083729628 ethyl 2-phenylacetate ethyl phenylacetate 101-97-3 CCOC(=O)CC1=CC=CC=C1 InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 DULCUDSUACXJJC-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 Liquid logp 2.48 ALOGPS logs -2.65 ALOGPS solubility 3.68e-01 g/l ALOGPS melting_point -29.4 oC logp 2.11 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl 2-phenylacetate ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles CCOC(=O)CC1=CC=CC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 ChemAxon inchikey DULCUDSUACXJJC-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 46.88 ChemAxon polarizability 17.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4021 Specdb::EiMs 1704 Specdb::MsIr 5637 Specdb::MsIr 5638 Specdb::CMs 18227 Specdb::CMs 27207 Specdb::CMs 27242 Specdb::CMs 27862 Specdb::CMs 27893 Specdb::CMs 28200 Specdb::CMs 28264 Specdb::CMs 29130 Specdb::CMs 29595 Specdb::CMs 101218 Specdb::CMs 101219 Specdb::CMs 101220 Specdb::CMs 101221 Specdb::CMs 101222 Specdb::CMs 101223 Specdb::CMs 101224 Specdb::CMs 101225 Specdb::CMs 163029 Specdb::MsMs 55290 Specdb::MsMs 55291 Specdb::MsMs 55292 Specdb::MsMs 110415 Specdb::MsMs 110416 Specdb::MsMs 110417 Specdb::MsMs 2729692 Specdb::MsMs 2729693 Specdb::MsMs 2729694 Specdb::MsMs 2975360 Specdb::MsMs 2975361 Specdb::MsMs 2975362 HMDB32618 #<Reference:0x0000561271fab548> Alcoholic beverages Unknown generic Black tea Type 1 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Citrus Unknown generic Corn Type 1 specific Zea mays 4577 49500.0 49500.0 49500.0 mg/100 g Fruits Unknown generic German camomile Type 1 specific Matricaria recutita 127986 Green tea Type 1 Herbal tea Type 1 Pomes Unknown generic Prickly pear Type 1 specific Opuntia 106975 Pulses Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 anise balsam bitter chocolate cocoa floral fruit grapefruit honey melon raspberry rose sweet flavor 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.