1.0 2010-04-08 22:09:55 UTC 2019-11-26 03:05:51 UTC FDB011975 Sesamol Isolated from sesame oil. Sesamol is found in fats and oils and sesame. 1, 3-Benzodioxol-5-ol 1,2,4-Benzenetriol methylene ether 1,3-benzodioxol-5-ol 1,3-Benzodioxol-5-ol, 9CI 3,4-(Methylenedioxy)-phenol 3,4-(Methylenedioxy)phenol 5-Benzodioxolol 5-Hydroxy-1, 3-benzodioxole 5-Hydroxy-1,3-benzodioxole Methylene ether of oxyhydroquinone Phenol, 3,4-(methylenedioxy)- Sesamol Sesamol lithium Sesamol sodium sesamol titanium (+4) sesamol, ion (1+) C7H6O3 138.1207 138.031694058 2H-1,3-benzodioxol-5-ol sesamol 533-31-3 OC1=CC2=C(OCO2)C=C1 InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 LUSZGTFNYDARNI-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. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Hydrocarbon derivatives Oxacyclic compounds 1-hydroxy-2-unsubstituted benzenoid Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle benzodioxoles logp 0.89 ALOGPS logs -0.25 ALOGPS solubility 7.73e+01 g/l ALOGPS melting_point Mp 65.8° logp 1.29 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 2H-1,3-benzodioxol-5-ol ChemAxon average_mass 138.1207 ChemAxon mono_mass 138.031694058 ChemAxon smiles OC1=CC2=C(OCO2)C=C1 ChemAxon formula C7H6O3 ChemAxon inchi InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 ChemAxon inchikey LUSZGTFNYDARNI-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 33.81 ChemAxon polarizability 13 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15638 Specdb::CMs 43516 Specdb::CMs 155916 Specdb::MsIr 6275 Specdb::MsIr 6276 Specdb::MsIr 6277 Specdb::MsMs 9845 Specdb::MsMs 9846 Specdb::MsMs 9847 Specdb::MsMs 16517 Specdb::MsMs 16518 Specdb::MsMs 16519 Specdb::MsMs 2784352 Specdb::MsMs 2784353 Specdb::MsMs 2784354 Specdb::MsMs 2921074 Specdb::MsMs 2921075 Specdb::MsMs 2921076 Specdb::NmrOneD 122998 Specdb::NmrOneD 122999 Specdb::NmrOneD 123000 Specdb::NmrOneD 123001 Specdb::NmrOneD 123002 Specdb::NmrOneD 123003 Specdb::NmrOneD 123004 Specdb::NmrOneD 123005 Specdb::NmrOneD 123006 Specdb::NmrOneD 123007 Specdb::NmrOneD 123008 Specdb::NmrOneD 123009 Specdb::NmrOneD 123010 Specdb::NmrOneD 123011 Specdb::NmrOneD 123012 Specdb::NmrOneD 123013 Specdb::NmrOneD 123014 Specdb::NmrOneD 123015 Specdb::NmrOneD 123016 Specdb::NmrOneD 123017 HMDB33812 BZX #<Reference:0x000055ce317e09f0> #<Reference:0x000055ce317e0838> Fats and oils Unknown generic Sesame Type 1 specific Sesamum orientale 4182 23.234953 24.924499512 21.54540562 mg/100 g