1.02010-04-08 22:11:22 UTC2019-11-26 03:10:29 UTCFDB014617CitronellalIsolated from essential oils, especies citronella oilsand is) also present in citrus peel oil, kumquat peel oil, parsley seed oil, ginger, pepper, cocoa, lovage root and other foods. Production synthetically by hydrogenation of 3,7-Dimethyl-2,6-octadienal <ht>JGH37-H</ht> or hydrogenation of 3,7-Dimethyl-6-octen-1-ol <ht>JRJ33-M</ht>. Flavouring ingredient. Citronellal is found in many foods, some of which are cocoa and cocoa products, citrus, wild celery, and lemon grass.β-Citronellal2,3-Dihydrocitral3,7-Dimethyl-6-octen-1-al3,7-Dimethyloct-6-enal6-Octenal, 3,7-dimethyl-beta-CitronellalCitronellalFEMA 2307RhodinalC10H18O154.253154.13576523,7-dimethyloct-6-enalcitronella106-23-0CC(CCC=C(C)C)CC=OInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3NEHNMFOYXAPHSD-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 compoundsAlpha-hydrogen aldehydesHydrocarbon derivativesMedium-chain aldehydesOrganic oxidesAcyclic monoterpenoidAldehydeAliphatic acyclic compoundAlpha-hydrogen aldehydeCarbonyl groupHydrocarbon derivativeMedium-chain aldehydeOrganic oxideOrganic oxygen compoundOrganooxygen compoundAcyclic monoterpenoidscitronellalmonoterpenoidlogp3.25logs-2.63solubility3.59e-01 g/llogp2.71pka_strongest_acidic18.32pka_strongest_basic-7iupac3,7-dimethyloct-6-enalaverage_mass154.253mono_mass154.1357652smilesCC(CCC=C(C)C)CC=OformulaC10H18OinchiInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3inchikeyNEHNMFOYXAPHSD-UHFFFAOYSA-Npolar_surface_area17.07refractivity49.3polarizability19.18rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs5693Specdb::CMs28798Specdb::CMs29236Specdb::CMs101769Specdb::CMs101770Specdb::CMs164867Specdb::MsMs74757Specdb::MsMs74758Specdb::MsMs74759Specdb::MsMs134235Specdb::MsMs134236Specdb::MsMs134237Specdb::MsMs2740639Specdb::MsMs2740640Specdb::MsMs2740641Specdb::MsMs2938092Specdb::MsMs2938093Specdb::MsMs293809447856CardamomType 1specificElettaria cardamomum105181Celery stalksType 1specificApium graveolens var. dulce117781Ceylon cinnamonType 1specificCinnamomum verum128608CitrusUnknowngenericCocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641FennelType 1specificFoeniculum vulgare48038GingerType 1specificZingiber officinale943287.357.357.35mg/100 gGrapeType 1specificVitis3603Herbs and SpicesUnknowngenericLemonType 1specificCitrus limon2708Lemon balmType 1specificMelissa officinalis39338145.05145.05145.05mg/100 gLemon grassType 1specificCymbopogon citratus66014LimeType 1specificCitrus aurantiifolia15903314.014.014.0mg/100 gLovageType 1specificLevisticum officinale48042Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855711.051.051.05mg/100 gPepper (Spice)Type 1specificPiper nigrum13216PitangaType 1specificEugenia uniflora119951Sweet orangeType 1specificCitrus sinensis27112.752.752.75mg/100 gWild celeryType 1specificApium graveolens4045aldehydiccherrycitrusdryfatfloralherballemonrosesweetwaxyacaricide16A substance used to destroy pests of the subclass Acari (mites and ticks).allergenic43A 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.candidicide756cytochrome-P450-2B1 inhibitor1191An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.embryotoxic898A role played by the molecular entity or part thereof which causes the development of a pathological process.flavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.fungicide940A substance used to destroy fungal pests.insectifuge1041Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.irritant1055motor depressant1118mutagenic1125nematicide1141A 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.teratogenic1347A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.