1.0 2010-04-08 22:12:39 UTC 2015-07-20 23:32:43 UTC FDB016806 Guaicyl phenylacetate Flavouring ingredient 2-Methoxyphenyl phenylacetate Acetic acid, phenyl-, o-methoxyphenyl ester Benzeneacetic Acid, 2-methoxyphenyl Ester FEMA 2535 Guaiacol phenylacetate Guaiacyl phenyl acetate Guaiacyl phenylacetate Guaicyl phenylacetate Methoxyphenyl phenylacetate, o- Methylcatechol acetate, o- O-Methoxyphenyl phenylacetate O-Methylcatechol acetate C15H14O3 242.2699 242.094294314 2-methoxyphenyl 2-phenylacetate 2-methoxyphenyl 2-phenylacetate 4112-89-4 COC1=CC=CC=C1OC(=O)CC1=CC=CC=C1 InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 KNVYLIIBQXVDKC-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. Phenol esters Organic compounds Benzenoids Phenol esters Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ester Phenol ether Phenoxy compound logp 3.44 ALOGPS logs -4.64 ALOGPS solubility 5.60e-03 g/l ALOGPS melting_point Mp 32° logp 3.26 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-methoxyphenyl 2-phenylacetate ChemAxon average_mass 242.2699 ChemAxon mono_mass 242.094294314 ChemAxon smiles COC1=CC=CC=C1OC(=O)CC1=CC=CC=C1 ChemAxon formula C15H14O3 ChemAxon inchi InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 ChemAxon inchikey KNVYLIIBQXVDKC-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 68.38 ChemAxon polarizability 25.65 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15860 Specdb::CMs 154661 Specdb::MsMs 58497 Specdb::MsMs 58498 Specdb::MsMs 58499 Specdb::MsMs 114438 Specdb::MsMs 114439 Specdb::MsMs 114440 Specdb::MsMs 2709101 Specdb::MsMs 2709102 Specdb::MsMs 2709103 Specdb::MsMs 3000451 Specdb::MsMs 3000452 Specdb::MsMs 3000453 HMDB37679 #<Reference:0x000055ac3f5713e0> balsam floral heavy honey phenolic powdery sausage smoked smoky spice woody