1.0 2010-04-08 22:06:49 UTC 2025-11-18 22:59:58 UTC FDB005737 Propiovanillone Propiovanillone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Propiovanillone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Propiovanillone can be found in sunflower, which makes propiovanillone a potential biomarker for the consumption of this food product. 1-(4-Hydroxy-3-methoxy-phenyl)-propan-1-one 1-(4-hydroxy-3-methoxyphenyl)-1-propanone 1-(4-Hydroxy-3-methoxyphenyl)-1-propanone (propiovanillone) 1-(4-hydroxy-3-methoxyphenyl)propanone (propiovanillone) 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl) 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)- 3-Methoxy-4-hydroxypropiophenone 4-Hydroxy-3-methoxypropiophenone Propioguaiacol Propioguaiacone Propiophenone, 4'-hydroxy-3'-methoxy C10H12O3 180.2005 180.07864425 1-(4-hydroxy-3-methoxyphenyl)propan-1-one 1-(4-hydroxy-3-methoxyphenyl)propan-1-one CCC(=O)C1=CC(OC)=C(O)C=C1 InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3 FBGXENQFSMMBNY-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds Phenylpropanes 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Alkyl-phenylketone Anisole Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Phenol Phenol ether Phenoxy compound Phenylpropane logp 2.10 ALOGPS logs -2.13 ALOGPS solubility 1.34e+00 g/l ALOGPS logp 1.77 ChemAxon pka_strongest_acidic 8.27 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1-(4-hydroxy-3-methoxyphenyl)propan-1-one ChemAxon average_mass 180.2005 ChemAxon mono_mass 180.07864425 ChemAxon smiles CCC(=O)C1=CC(OC)=C(O)C=C1 ChemAxon formula C10H12O3 ChemAxon inchi InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3 ChemAxon inchikey FBGXENQFSMMBNY-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 49.53 ChemAxon polarizability 18.85 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69039 Specdb::MsMs 69040 Specdb::MsMs 69041 Specdb::MsMs 127224 Specdb::MsMs 127225 Specdb::MsMs 127226 Specdb::MsMs 3602114 Specdb::MsMs 3602115 Specdb::MsMs 3602116 Specdb::MsMs 3602117 Specdb::MsMs 3602118 Specdb::MsMs 3602119 Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Sunflower Type 1 specific Helianthus annuus 4232