1.0 2010-04-08 22:06:18 UTC 2025-11-18 22:56:47 UTC FDB004558 p-Ethylacetophenone P-ethylacetophenone, also known as 1-(4-ethylphenyl)ethanone, 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. P-ethylacetophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). P-ethylacetophenone can be found in tea, which makes P-ethylacetophenone a potential biomarker for the consumption of this food product. P-ethylacetophenone exists in all eukaryotes, ranging from yeast to humans. 1-(4-Ethylphenyl)ethanone 4-Ethylacetophenone 4'-Ethylacetophenone Acetophenone, 4'-ethyl- Acetophenone, 4'-ethyl- (8CI) Ethanone, 1-(4-ethylphenyl)- P-acetylethylbenzene P-ethylacetophenone P-ethylphenyl methyl ketone C10H12O 148.2017 148.088815006 1-(4-ethylphenyl)ethan-1-one 4-ethylacetophenone CCC1=CC=C(C=C1)C(C)=O InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3 NODGRWCMFMEGJH-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 Acetophenones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Acetophenone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic oxide liquid logp 2.74 ALOGPS logs -2.94 ALOGPS solubility 1.70e-01 g/l ALOGPS melting_point -20.6 oC logp 2.49 ChemAxon pka_strongest_acidic 16.23 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 1-(4-ethylphenyl)ethan-1-one ChemAxon average_mass 148.2017 ChemAxon mono_mass 148.088815006 ChemAxon smiles CCC1=CC=C(C=C1)C(C)=O ChemAxon formula C10H12O ChemAxon inchi InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3 ChemAxon inchikey NODGRWCMFMEGJH-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 46.1 ChemAxon polarizability 17.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9726 Specdb::MsIr 9727 Specdb::CMs 2699 Specdb::CMs 28669 Specdb::CMs 29598 Specdb::CMs 102371 Specdb::CMs 102372 Specdb::CMs 134666 Specdb::CMs 142400 Specdb::NmrOneD 257868 Specdb::NmrOneD 257869 Specdb::NmrOneD 257870 Specdb::NmrOneD 257871 Specdb::NmrOneD 257872 Specdb::NmrOneD 257873 Specdb::NmrOneD 257874 Specdb::NmrOneD 257875 Specdb::NmrOneD 257876 Specdb::NmrOneD 257877 Specdb::NmrOneD 257878 Specdb::NmrOneD 257879 Specdb::NmrOneD 257880 Specdb::NmrOneD 257881 Specdb::NmrOneD 257882 Specdb::NmrOneD 257883 Specdb::NmrOneD 257884 Specdb::NmrOneD 257885 Specdb::NmrOneD 257886 Specdb::NmrOneD 257887 Specdb::MsMs 64938 Specdb::MsMs 64939 Specdb::MsMs 64940 Specdb::MsMs 122229 Specdb::MsMs 122230 Specdb::MsMs 122231 Specdb::MsMs 2809013 Specdb::MsMs 2809014 Specdb::MsMs 2809015 Specdb::MsMs 2900172 Specdb::MsMs 2900173 Specdb::MsMs 2900174 HMDB0059845 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442