1.02010-04-08 22:04:56 UTC2019-11-26 02:56:20 UTCFDB001344HydroxycitronellolHydroxycitronellol, also known as 3,7-dimethyl-1,7-octanediol, 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, hydroxycitronellol is considered to be a fatty alcohol lipid molecule. Hydroxycitronellol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Within the cell, hydroxycitronellol is primarily located in the cytoplasm and in the membrane (predicted from logP). It can also be found in the extracellular space.1-Octanol, 3,7-dimethyl-7-hydroxy-1,2-Octandiol, 3,7-dimethyl-1,2-Octanediol, 3,7-dimethyl-1,7-Octanediol, 3,7-dimethyl-2,8-Octanediol, 2, 6-dimethyl-2,8-Octanediol, 2,6-dimethyl-3,7-dimethyloctane-1,7-diol7-Hydroxy-3, 7-dimethyloctan-1-ol7-Hydroxy-3,7-dimethyloctan-1-ol7-Hydroxy-6,7-dihydrocitronellolCitronellol hydrateCitronellol, hydroxy-FEMA 2586HydroxycitronellolOctane-1,7-diol, 3,7-dimethylC10H22O2174.2805174.1619799483,7-dimethyloctane-1,7-diol1,7-octanediol, 3,7-dimethyl-107-74-4CC(CCO)CCCC(C)(C)OInChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3FPCCDPXRNNVUOM-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 alcoholsTertiary alcoholsAlcoholAliphatic acyclic compoundFatty alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPrimary alcoholTertiary alcohollogp2.36logs-2.06solubility1.52e+00 g/llogp1.69pka_strongest_acidic17.11pka_strongest_basic-1.2iupac3,7-dimethyloctane-1,7-diolaverage_mass174.2805mono_mass174.161979948smilesCC(CCO)CCCC(C)(C)OformulaC10H22O2inchiInChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3inchikeyFPCCDPXRNNVUOM-UHFFFAOYSA-Npolar_surface_area40.46refractivity51.47polarizability21.73rotatable_bond_count6acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::MsIr3827Specdb::MsIr3828Specdb::MsIr3829Specdb::CMs12956Specdb::CMs41736Specdb::CMs131807Specdb::CMs139541Specdb::MsMs54912Specdb::MsMs54913Specdb::MsMs54914Specdb::MsMs148071Specdb::MsMs148072Specdb::MsMs148073Specdb::MsMs2812478Specdb::MsMs2812479Specdb::MsMs2812480Specdb::MsMs2896929Specdb::MsMs2896930Specdb::MsMs2896931Common grapeType 1specificVitis vinifera29760Highbush blueberryType 1specificVaccinium corymbosum692660.002250.00450.0mg/100 gcleanfloralgreenlilymildpeony