1.02010-04-08 22:04:32 UTC2019-11-26 02:54:39 UTCFDB000344Hydroxytyrosol acetateHydroxytyrosol acetate belongs to tyrosols and derivatives class of compounds. Those are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group. Hydroxytyrosol acetate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Hydroxytyrosol acetate can be found in olive, which makes hydroxytyrosol acetate a potential biomarker for the consumption of this food product. 2-(3,4-Dihydroxyphenyl) ethyl acetate3,4-DHPEA-AC4-(2-(Acetyloxy)ethyl)-1,2-benzenediol4-(Acetoxyethyl)-1,2-dihydroxybenzeneHydroxytyrosol acetateC10H12O4196.1999196.0735588722-(3,4-dihydroxyphenyl)ethyl acetate2-(3,4-dihydroxyphenyl)ethyl acetate7440-34-8CC(=O)OCCC1=CC(O)=C(O)C=C1InChI=1S/C10H12O4/c1-7(11)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6,12-13H,4-5H2,1H3FGJGLFPNIZXRLV-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsBenzene and substituted derivativesCarbonyl compoundsCarboxylic acid estersCatecholsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxides1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCatecholHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundTyrosol derivativelogp1.45logs-2.14solubility1.43e+00 g/llogp1.33pka_strongest_acidic9.28pka_strongest_basic-6.3iupac2-(3,4-dihydroxyphenyl)ethyl acetateaverage_mass196.1999mono_mass196.073558872smilesCC(=O)OCCC1=CC(O)=C(O)C=C1formulaC10H12O4inchiInChI=1S/C10H12O4/c1-7(11)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6,12-13H,4-5H2,1H3inchikeyFGJGLFPNIZXRLV-UHFFFAOYSA-Npolar_surface_area66.76refractivity50.74polarizability20.07rotatable_bond_count4acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::CMs114021Specdb::CMs127963Specdb::CMs911960Specdb::CMs911961Specdb::CMs911962Specdb::CMs911963Specdb::CMs911964Specdb::CMs911965Specdb::MsMs59394Specdb::MsMs59395Specdb::MsMs59396Specdb::MsMs115515Specdb::MsMs115516Specdb::MsMs115517Specdb::MsMs3438988Specdb::MsMs3438989Specdb::MsMs3438990Specdb::MsMs3438991Specdb::MsMs3438992Specdb::MsMs3438993OliveType 1specificOlea europaea41461.4194351.4817599711.357110775mg/100 g