1.02010-04-08 22:04:32 UTC2019-11-26 02:54:39 UTCFDB000345p-HPEA-ACP-hpea-ac belongs to tyrosols and derivatives class of compounds. Those are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group. P-hpea-ac is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). P-hpea-ac can be found in olive, which makes P-hpea-ac a potential biomarker for the consumption of this food product. 4-(Acetoxyethyl)-1-hydroxybenzeneTyrosol acetateC10H12O3180.2005180.078644252-(4-hydroxyphenyl)ethyl acetate2-(4-hydroxyphenyl)ethyl acetateCC(=O)OCCC1=CC=C(O)C=C1InChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3LDLOCPJLLDCCGO-UHFFFAOYSA-N belongs to the class of organic compounds known as tyrosols and derivatives. Tyrosols and derivatives are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group.Tyrosols and derivativesOrganic compoundsBenzenoidsPhenolsTyrosols and derivativesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsBenzene and substituted derivativesCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxides1-hydroxy-2-unsubstituted benzenoidAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundTyrosol derivativelogp2.52logs-2.35solubility7.98e-01 g/llogp1.63pka_strongest_acidic9.5pka_strongest_basic-6iupac2-(4-hydroxyphenyl)ethyl acetateaverage_mass180.2005mono_mass180.07864425smilesCC(=O)OCCC1=CC=C(O)C=C1formulaC10H12O3inchiInChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3inchikeyLDLOCPJLLDCCGO-UHFFFAOYSA-Npolar_surface_area46.53refractivity48.76polarizability19.14rotatable_bond_count4acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs87312Specdb::MsMs53730Specdb::MsMs53731Specdb::MsMs53732Specdb::MsMs131136Specdb::MsMs131137Specdb::MsMs131138OliveType 1specificOlea europaea41460.0040540.0040542570.004054257mg/100 g