1.0 2010-04-08 22:12:21 UTC 2015-07-20 23:28:20 UTC FDB016296 Isoeugenol phenylacetate Flavouring ingredient 2-Methoxy-4-(1-propen-1-yl)phenyl phenylacetate 2-Methoxy-4-(1-propenyl)phenyl benzeneacetate 2-Methoxy-4-prop-1-enylphenyl phenylacetate 2-Methoxy-4-propenylphenyl phenylacetate 4-Propenylguaiacyl phenylacetate Acetic acid, phenyl-, 2-methoxy-4-propenylphenyl ester Benzeneacetic acid, 2-methoxy-4-(1-propen-1-yl)phenyl ester Benzeneacetic acid, 2-methoxy-4-(1-propenyl)phenyl ester FEMA 2477 Isoeugenol phenylacetate Isoeugenyl alpha-toluate Isoeugenyl phenylacetate C18H18O3 282.3337 282.125594442 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl 2-phenylacetate 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl 2-phenylacetate 120-24-1 COC1=C(OC(=O)CC2=CC=CC=C2)C=CC(\C=C/C)=C1 InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3- YYLCMLYMJHKLEJ-CLTKARDFSA-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 Styrenes 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 Styrene logp 4.78 ALOGPS logs -5.08 ALOGPS solubility 2.33e-03 g/l ALOGPS logp 4.38 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl 2-phenylacetate ChemAxon average_mass 282.3337 ChemAxon mono_mass 282.125594442 ChemAxon smiles COC1=C(OC(=O)CC2=CC=CC=C2)C=CC(\C=C/C)=C1 ChemAxon formula C18H18O3 ChemAxon inchi InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3- ChemAxon inchikey YYLCMLYMJHKLEJ-CLTKARDFSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 83.74 ChemAxon polarizability 31.34 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22721 Specdb::CMs 148655 Specdb::MsMs 316444 Specdb::MsMs 316445 Specdb::MsMs 316446 Specdb::MsMs 362704 Specdb::MsMs 362705 Specdb::MsMs 362706 Specdb::MsMs 3051380 Specdb::MsMs 3051381 Specdb::MsMs 3051382 Specdb::MsMs 3119416 Specdb::MsMs 3119417 Specdb::MsMs 3119418 HMDB37278 #<Reference:0x000055ce316f41e0> cinnamon clove floral honey spice sweet