1.0 2010-04-08 22:11:18 UTC 2019-11-26 03:10:10 UTC FDB014490 Citronellol Occurs 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 (±)-Citronellol 2,3-Dihydrogeraniol 2,6-Dimethyl-2-octen-8-ol 3,7-Dimethyl-6-octen-1-ol 3,7-Dimethyloct-6-en-1-ol 6-Octen-1-ol, 3,7-dimethyl- b-Citronellol beta-Citronellol Cephrol Citronellol Dihydrogeraniol DL-Citronellol Rhodinol Yacarol C10H20O 156.269 156.151415264 3,7-dimethyloct-6-en-1-ol citronellol, (+-)- 106-22-9 CC(CCO)CCC=C(C)C InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 QMVPMAAFGQKVCJ-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Fatty alcohols Hydrocarbon derivatives Primary alcohols Acyclic monoterpenoid Alcohol Aliphatic acyclic compound Fatty acyl Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol citronellol monoterpenoid logp 3.48 ALOGPS logs -2.27 ALOGPS solubility 8.46e-01 g/l ALOGPS melting_point < 25 oC logp 2.75 ChemAxon pka_strongest_acidic 17.11 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 3,7-dimethyloct-6-en-1-ol ChemAxon average_mass 156.269 ChemAxon mono_mass 156.151415264 ChemAxon smiles CC(CCO)CCC=C(C)C ChemAxon formula C10H20O ChemAxon inchi InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 ChemAxon inchikey QMVPMAAFGQKVCJ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 50.49 ChemAxon polarizability 20.05 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2427 Specdb::MsMs 45327 Specdb::MsMs 45328 Specdb::MsMs 45329 Specdb::MsMs 148653 Specdb::MsMs 148654 Specdb::MsMs 148655 Specdb::NmrOneD 314141 Specdb::NmrOneD 314142 Specdb::NmrOneD 314143 Specdb::NmrOneD 314144 Specdb::NmrOneD 314145 Specdb::NmrOneD 314146 Specdb::NmrOneD 314147 Specdb::NmrOneD 314148 Specdb::NmrOneD 314149 Specdb::NmrOneD 314150 Specdb::NmrOneD 314151 Specdb::NmrOneD 314152 Specdb::NmrOneD 314153 Specdb::NmrOneD 314154 Specdb::NmrOneD 314155 Specdb::NmrOneD 314156 Specdb::NmrOneD 314157 Specdb::NmrOneD 314158 Specdb::NmrOneD 314159 Specdb::NmrOneD 314160 50462 Beer Type 2 specific 6.281275 12.55 0.01255 mg/100 g Bilberry Type 1 specific Vaccinium myrtillus 180763 0.00005 0.0001 0.0 mg/100 g Black tea Type 1 Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 Caraway Type 1 specific Carum carvi 48032 Cardamom Type 1 specific Elettaria cardamomum 105181 2.7 2.7 2.7 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 Coriander Type 1 specific Coriandrum sativum 4047 0.4 0.4 0.4 mg/100 g Evergreen blackberry Type 1 specific Rubus laciniatus Fennel Type 1 specific Foeniculum vulgare 48038 Ginger Type 1 specific Zingiber officinale 94328 325.1 325.1 325.1 mg/100 g Grape Type 1 specific Vitis 3603 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.001 0.002 0.0 mg/100 g Lemon Type 1 specific Citrus limon 2708 Lemon balm Type 1 specific Melissa officinalis 39338 4.5 4.5 4.5 mg/100 g Lemon grass Type 1 specific Cymbopogon citratus 66014 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 2.55 2.55 2.55 mg/100 g Nutmeg Type 1 specific Myristica fragrans 51089 Pepper (Spice) Type 1 specific Piper nigrum 13216 Peppermint Type 1 specific Mentha X piperita 34256 Red tea Type 1 Red wine Type 2 2.134633 8.53 0.0 mg/100 g Rocket salad (ssp.) Type 1 specific Eruca vesicaria ssp. sativa 29727 Saffron Type 1 specific Crocus sativus 82528 Sweet basil Type 1 specific Ocimum basilicum 39350 120.96 120.96 120.96 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 Tea Type 1 specific Camellia sinensis 4442 White wine Type 2 0.0 0.0 0.0 mg/100 g Winter savory Type 1 specific Satureja montana 49988 16.3 16.3 16.3 mg/100 g citrus floral geranium leather rose rose bud waxy allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. anti bacterial 145 A substance that kills or slows the growth of bacteria. anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. anti staphylococcic 627 A substance that kills or slows the growth of bacteria. anti streptococcic 631 A substance that kills or slows the growth of bacteria. candidicide 756 flavor 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. fungicide 940 A substance used to destroy fungal pests. herbicide 986 A substance used to destroy plant pests. irritant 1055 nematicide 1141 A substance used to destroy pests of the phylum Nematoda (roundworms). perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. trichomonicide 1379