1.02010-04-08 22:06:18 UTC2019-11-26 03:00:05 UTCFDB004558p-EthylacetophenoneP-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)ethanone4-Ethylacetophenone4'-EthylacetophenoneAcetophenone, 4'-ethyl-Acetophenone, 4'-ethyl- (8CI)Ethanone, 1-(4-ethylphenyl)-P-acetylethylbenzeneP-ethylacetophenoneP-ethylphenyl methyl ketoneC10H12O148.2017148.0888150061-(4-ethylphenyl)ethan-1-one4-ethylacetophenoneCCC1=CC=C(C=C1)C(C)=OInChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3NODGRWCMFMEGJH-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-phenylketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAromatic homomonocyclic compoundsAcetophenonesAryl alkyl ketonesBenzoyl derivativesHydrocarbon derivativesOrganic oxidesAcetophenoneAlkyl-phenylketoneAromatic homomonocyclic compoundAryl alkyl ketoneBenzenoidBenzoylHydrocarbon derivativeMonocyclic benzene moietyOrganic oxideliquidlogp2.74logs-2.94solubility1.70e-01 g/lmelting_point-20.6 oClogp2.49pka_strongest_acidic16.23pka_strongest_basic-7.4iupac1-(4-ethylphenyl)ethan-1-oneaverage_mass148.2017mono_mass148.088815006smilesCCC1=CC=C(C=C1)C(C)=OformulaC10H12OinchiInChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3inchikeyNODGRWCMFMEGJH-UHFFFAOYSA-Npolar_surface_area17.07refractivity46.1polarizability17.22rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr9726Specdb::MsIr9727Specdb::CMs2699Specdb::CMs28669Specdb::CMs29598Specdb::CMs102371Specdb::CMs102372Specdb::CMs134666Specdb::CMs142400Specdb::NmrOneD257868Specdb::NmrOneD257869Specdb::NmrOneD257870Specdb::NmrOneD257871Specdb::NmrOneD257872Specdb::NmrOneD257873Specdb::NmrOneD257874Specdb::NmrOneD257875Specdb::NmrOneD257876Specdb::NmrOneD257877Specdb::NmrOneD257878Specdb::NmrOneD257879Specdb::NmrOneD257880Specdb::NmrOneD257881Specdb::NmrOneD257882Specdb::NmrOneD257883Specdb::NmrOneD257884Specdb::NmrOneD257885Specdb::NmrOneD257886Specdb::NmrOneD257887Specdb::MsMs64938Specdb::MsMs64939Specdb::MsMs64940Specdb::MsMs122229Specdb::MsMs122230Specdb::MsMs122231Specdb::MsMs2809013Specdb::MsMs2809014Specdb::MsMs2809015Specdb::MsMs2900172Specdb::MsMs2900173Specdb::MsMs2900174Black teaType 1Green teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442