1.02010-04-08 22:11:04 UTC2019-11-26 03:09:30 UTCFDB014093DihydrocitronellolDihydrocitronellol, also known as 3,7-dimethyloctan-1-ol or tetrahydrogeraniol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, dihydrocitronellol is considered to be a fatty alcohol lipid molecule. Dihydrocitronellol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Dihydrocitronellol is an aldehydic, bitter, and citrus tasting compound found in lemon, which makes dihydrocitronellol a potential biomarker for the consumption of this food product. 3,7-Dimethyl-1-octanolDihydrocitronellolFEMA 2391PerhydrogeraniolTetrahydrogeraniolC10H22O158.2811158.1670653263,7-dimethyloctan-1-ol3,7-dimethyloctan-1-ol106-21-8CC(C)CCCC(C)CCOInChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3PRNCMAKCNVRZFX-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.Fatty alcoholsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty alcoholsAliphatic acyclic compoundsHydrocarbon derivativesPrimary alcoholsAlcoholAliphatic acyclic compoundFatty alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPrimary alcohollogp3.96logs-3.22solubility9.47e-02 g/llogp3.16pka_strongest_acidic17.11pka_strongest_basic-1.9iupac3,7-dimethyloctan-1-olaverage_mass158.2811mono_mass158.167065326smilesCC(C)CCCC(C)CCOformulaC10H22OinchiInChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3inchikeyPRNCMAKCNVRZFX-UHFFFAOYSA-Npolar_surface_area20.23refractivity49.64polarizability20.97rotatable_bond_count6acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsIr6922Specdb::MsIr6923Specdb::MsIr6924Specdb::CMs24882Specdb::CMs28522Specdb::CMs44380Specdb::CMs101735Specdb::CMs158004Specdb::MsMs9731Specdb::MsMs9732Specdb::MsMs9733Specdb::MsMs16403Specdb::MsMs16404Specdb::MsMs16405Specdb::MsMs2842212Specdb::MsMs2842213Specdb::MsMs2842214Specdb::MsMs2866212Specdb::MsMs2866213Specdb::MsMs2866214LemonType 1specificCitrus limon27081.01.01.0mg/100 galdehydicbittercitrusgreenleatherymustysoapywaxy