1.0 2010-04-08 22:06:13 UTC 2025-11-18 22:56:02 UTC FDB004386 2,4-Dimethylpropiophenone 2,4-dimethylpropiophenone 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. 2,4-dimethylpropiophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-dimethylpropiophenone can be found in tea, which makes 2,4-dimethylpropiophenone a potential biomarker for the consumption of this food product. C11H14O 162.2283 162.10446507 1-(2,4-dimethylphenyl)propan-1-one 1-(2,4-dimethylphenyl)propan-1-one CCC(=O)C1=C(C)C=C(C)C=C1 InChI=1S/C11H14O/c1-4-11(12)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3 UWFRVQVNYNPBEF-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 Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Phenylpropanes m-Xylenes Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative M-xylene Monocyclic benzene moiety Organic oxide Phenylpropane Xylene logp 2.91 ALOGPS logs -2.99 ALOGPS solubility 1.65e-01 g/l ALOGPS logp 3.26 ChemAxon pka_strongest_acidic 16.93 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 1-(2,4-dimethylphenyl)propan-1-one ChemAxon average_mass 162.2283 ChemAxon mono_mass 162.10446507 ChemAxon smiles CCC(=O)C1=C(C)C=C(C)C=C1 ChemAxon formula C11H14O ChemAxon inchi InChI=1S/C11H14O/c1-4-11(12)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3 ChemAxon inchikey UWFRVQVNYNPBEF-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 51.17 ChemAxon polarizability 19.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87798 Specdb::MsMs 87799 Specdb::MsMs 87800 Specdb::MsMs 150387 Specdb::MsMs 150388 Specdb::MsMs 150389 Specdb::MsMs 3600335 Specdb::MsMs 3600336 Specdb::MsMs 3600337 Specdb::MsMs 3601136 Specdb::MsMs 3601137 Specdb::MsMs 3601138 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442