1.02010-04-08 22:09:55 UTC2019-11-26 03:05:51 UTCFDB011975SesamolIsolated from sesame oil. Sesamol is found in fats and oils and sesame.1, 3-Benzodioxol-5-ol1,2,4-Benzenetriol methylene ether1,3-benzodioxol-5-ol1,3-Benzodioxol-5-ol, 9CI3,4-(Methylenedioxy)-phenol3,4-(Methylenedioxy)phenol5-Benzodioxolol5-Hydroxy-1, 3-benzodioxole5-Hydroxy-1,3-benzodioxoleMethylene ether of oxyhydroquinonePhenol, 3,4-(methylenedioxy)-SesamolSesamol lithiumSesamol sodiumsesamol titanium (+4)sesamol, ion (1+)C7H6O3138.1207138.0316940582H-1,3-benzodioxol-5-olsesamol533-31-3OC1=CC2=C(OCO2)C=C1InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2LUSZGTFNYDARNI-UHFFFAOYSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.BenzodioxolesOrganic compoundsOrganoheterocyclic compoundsBenzodioxolesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoidsAcetalsHydrocarbon derivativesOxacyclic compounds1-hydroxy-2-unsubstituted benzenoidAcetalAromatic heteropolycyclic compoundBenzenoidBenzodioxoleHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacyclebenzodioxoleslogp0.89logs-0.25solubility7.73e+01 g/lmelting_pointMp 65.8°logp1.29pka_strongest_acidic9.79pka_strongest_basic-4.7iupac2H-1,3-benzodioxol-5-olaverage_mass138.1207mono_mass138.031694058smilesOC1=CC2=C(OCO2)C=C1formulaC7H6O3inchiInChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2inchikeyLUSZGTFNYDARNI-UHFFFAOYSA-Npolar_surface_area38.69refractivity33.81polarizability13rotatable_bond_count0acceptor_count3donor_count1physiological_charge0formal_charge0Specdb::CMs15638Specdb::CMs43516Specdb::CMs155916Specdb::MsIr6275Specdb::MsIr6276Specdb::MsIr6277Specdb::NmrOneD122998Specdb::NmrOneD122999Specdb::NmrOneD123000Specdb::NmrOneD123001Specdb::NmrOneD123002Specdb::NmrOneD123003Specdb::NmrOneD123004Specdb::NmrOneD123005Specdb::NmrOneD123006Specdb::NmrOneD123007Specdb::NmrOneD123008Specdb::NmrOneD123009Specdb::NmrOneD123010Specdb::NmrOneD123011Specdb::NmrOneD123012Specdb::NmrOneD123013Specdb::NmrOneD123014Specdb::NmrOneD123015Specdb::NmrOneD123016Specdb::NmrOneD123017Specdb::MsMs9845Specdb::MsMs9846Specdb::MsMs9847Specdb::MsMs16517Specdb::MsMs16518Specdb::MsMs16519Specdb::MsMs2784352Specdb::MsMs2784353Specdb::MsMs2784354Specdb::MsMs2921074Specdb::MsMs2921075Specdb::MsMs2921076HMDB33812BZX#<Reference:0x0000555675b4ad18>#<Reference:0x0000555675b4ab60>Fats and oilsUnknowngenericSesameType 1specificSesamum orientale418223.23495324.92449951221.54540562mg/100 g