1.0 2010-04-08 22:10:09 UTC 2015-07-20 22:49:54 UTC FDB012409 Isoeugenol acetate Flavouring ingredient FEMA 2470 Isoeugenol acetate Isoeugenol acetate (e) Isoeugenyl acetate C12H14O3 206.2378 206.094294314 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetate 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetate 5912-87-8 COC1=C(OC(C)=O)C=CC(\C=C/C)=C1 InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4- IUSBVFZKQJGVEP-PLNGDYQASA-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 3.38 ALOGPS logs -3.46 ALOGPS solubility 7.19e-02 g/l ALOGPS melting_point Mp 79° logp 2.55 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetate ChemAxon average_mass 206.2378 ChemAxon mono_mass 206.094294314 ChemAxon smiles COC1=C(OC(C)=O)C=CC(\C=C/C)=C1 ChemAxon formula C12H14O3 ChemAxon inchi InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4- ChemAxon inchikey IUSBVFZKQJGVEP-PLNGDYQASA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 59.01 ChemAxon polarizability 22.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15155 Specdb::CMs 135917 Specdb::CMs 143651 Specdb::MsIr 6418 Specdb::MsIr 6419 Specdb::MsMs 88524 Specdb::MsMs 88525 Specdb::MsMs 88526 Specdb::MsMs 151266 Specdb::MsMs 151267 Specdb::MsMs 151268 Specdb::MsMs 2718975 Specdb::MsMs 2718976 Specdb::MsMs 2718977 Specdb::MsMs 2963409 Specdb::MsMs 2963410 Specdb::MsMs 2963411 HMDB34135 #<Reference:0x000055ce31daf890> clove spicy