1.02010-04-08 22:11:18 UTC2019-11-26 03:10:10 UTCFDB014490CitronellolOccurs in many essential oils, usually as a partial racemate. obtained mainly from geranium oil or synthetically. Flavour for use in citrus compositions
Citronellol, or dihydrogeraniol, is a natural acyclic monoterpenoid. Both enantiomers occur in nature. (+)-Citronellol, which is found in citronella oils, including Cymbopogon nardus (50%), is the more common isomer. (-)-Citronellol is found in the oils of rose (18-55%) and Pelargonium geraniums. (±)-3,7-Dimethyl-6-octen-1-ol(±)-beta-Citronellol(±)-Citronellol2,3-Dihydrogeraniol2,6-Dimethyl-2-octen-8-ol3,7-Dimethyl-6-octen-1-ol3,7-Dimethyloct-6-en-1-ol6-Octen-1-ol, 3,7-dimethyl-b-Citronellolbeta-CitronellolCephrolCitronellolDihydrogeraniolDL-CitronellolRhodinolYacarolC10H20O156.269156.1514152643,7-dimethyloct-6-en-1-olcitronellol, (+-)-106-22-9CC(CCO)CCC=C(C)CInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3QMVPMAAFGQKVCJ-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.Acyclic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic acyclic compoundsFatty alcoholsHydrocarbon derivativesPrimary alcoholsAcyclic monoterpenoidAlcoholAliphatic acyclic compoundFatty acylFatty alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPrimary alcoholcitronellolmonoterpenoidlogp3.48logs-2.27solubility8.46e-01 g/lmelting_point< 25 oClogp2.75pka_strongest_acidic17.11pka_strongest_basic-1.9iupac3,7-dimethyloct-6-en-1-olaverage_mass156.269mono_mass156.151415264smilesCC(CCO)CCC=C(C)CformulaC10H20OinchiInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3inchikeyQMVPMAAFGQKVCJ-UHFFFAOYSA-Npolar_surface_area20.23refractivity50.49polarizability20.05rotatable_bond_count5acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs2427Specdb::NmrOneD314141Specdb::NmrOneD314142Specdb::NmrOneD314143Specdb::NmrOneD314144Specdb::NmrOneD314145Specdb::NmrOneD314146Specdb::NmrOneD314147Specdb::NmrOneD314148Specdb::NmrOneD314149Specdb::NmrOneD314150Specdb::NmrOneD314151Specdb::NmrOneD314152Specdb::NmrOneD314153Specdb::NmrOneD314154Specdb::NmrOneD314155Specdb::NmrOneD314156Specdb::NmrOneD314157Specdb::NmrOneD314158Specdb::NmrOneD314159Specdb::NmrOneD314160Specdb::MsMs45327Specdb::MsMs45328Specdb::MsMs45329Specdb::MsMs148653Specdb::MsMs148654Specdb::MsMs14865550462BeerType 2specific6.28127512.550.01255mg/100 gBilberryType 1specificVaccinium myrtillus1807630.000050.00010.0mg/100 gBlack teaType 1BlackberryType 1specificRubusBlackcurrantType 1specificRibes nigrum78511CarawayType 1specificCarum carvi48032CardamomType 1specificElettaria cardamomum1051812.72.72.7mg/100 gCommon grapeType 1specificVitis vinifera29760CorianderType 1specificCoriandrum sativum40470.40.40.4mg/100 gEvergreen blackberryType 1specificRubus laciniatusFennelType 1specificFoeniculum vulgare48038GingerType 1specificZingiber officinale94328325.1325.1325.1mg/100 gGrapeType 1specificVitis3603Green teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericHighbush blueberryType 1specificVaccinium corymbosum692660.0010.0020.0mg/100 gLemonType 1specificCitrus limon2708Lemon balmType 1specificMelissa officinalis393384.54.54.5mg/100 gLemon grassType 1specificCymbopogon citratus66014Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855712.552.552.55mg/100 gNutmegType 1specificMyristica fragrans51089Pepper (Spice)Type 1specificPiper nigrum13216PeppermintType 1specificMentha X piperita34256Red teaType 1Red wineType 22.1346338.530.0mg/100 gRocket salad (ssp.)Type 1specificEruca vesicaria ssp. sativa29727SaffronType 1specificCrocus sativus82528Sweet basilType 1specificOcimum basilicum39350120.96120.96120.96mg/100 gSweet orangeType 1specificCitrus sinensis2711TeaType 1specificCamellia sinensis4442White wineType 20.00.00.0mg/100 gWinter savoryType 1specificSatureja montana4998816.316.316.3mg/100 gcitrusfloralgeraniumleatherroserose budwaxyallergenic43A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.anti bacterial145A substance that kills or slows the growth of bacteria.anti septic603A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.anti staphylococcic627A substance that kills or slows the growth of bacteria.anti streptococcic631A substance that kills or slows the growth of bacteria.candidicide756flavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.fungicide940A substance used to destroy fungal pests.herbicide986A substance used to destroy plant pests.irritant1055nematicide1141A substance used to destroy pests of the phylum Nematoda (roundworms).perfumery1206A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.sedative1311A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.trichomonicide1379