1.0 2010-04-08 22:11:33 UTC 2019-11-26 03:10:59 UTC FDB014940 Linalool Flavouring agent. Widespread natural occurrence as the optically active and racemic forms in over 200 essential oilsand is) also present in numerous fruits. Linalool is a naturally occurring terpene alcohol chemical found in many flowers and spice plants with many commercial applications, the majority of which are based on its pleasant scent (floral, with a touch of spiciness). Over 200 species of plants produce linalool, mainly from the families Lamiaceae (mints, scented herbs), Lauraceae (laurels, cinnamon, rosewood), and Rutaceae (citrus fruits), but also birch trees and other plants, from tropical to boreal climate zones. It has also been found in some fungi. Linalool has two stereoisomers: licareol is ==(R)==-(–)-linalool and coriandrol is (S)-(+)-linalool. 2,6-Dimethyl-2,7-octadien-6-ol 2,6-Dimethyl-2,7-octadiene-6-ol 2,6-Dimethylocta-2,7-dien-6-ol 2,7-Octadien-6-ol, 2,6-dimethyl- 3,7-Dimethyl-1, 6-octadien-3-ol 3,7-Dimethyl-1,6-octadien-3-ol 3,7-Dimethylocta-1,6-dien-3-ol b-Linalool beta-Linalool FEMA 2635 Linalol Linalool Linalool b Linalyl alcohol Linanool Linolool β-linalool C10H18O 154.253 154.1357652 3,7-dimethylocta-1,6-dien-3-ol linalool, (+-)- 78-70-6 CC(C)=CCCC(C)(O)C=C InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 CDOSHBSSFJOMGT-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 Hydrocarbon derivatives Tertiary alcohols Acyclic monoterpenoid Alcohol Aliphatic acyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol Acyclic monoterpenoids Linear monoterpenes a linalool monoterpenoid tertiary alcohol logp 2.68 ALOGPS logs -2.51 ALOGPS solubility 4.76e-01 g/l ALOGPS melting_point < 25 oC logp 2.65 ChemAxon pka_strongest_acidic 18.46 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 3,7-dimethylocta-1,6-dien-3-ol ChemAxon average_mass 154.253 ChemAxon mono_mass 154.1357652 ChemAxon smiles CC(C)=CCCC(C)(O)C=C ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 ChemAxon inchikey CDOSHBSSFJOMGT-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 50.21 ChemAxon polarizability 19.31 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1690 Specdb::MsMs 7772 Specdb::MsMs 7773 Specdb::MsMs 7774 Specdb::MsMs 14444 Specdb::MsMs 14445 Specdb::MsMs 14446 Specdb::MsMs 2303013 Specdb::MsMs 2303014 Specdb::MsMs 2303015 Specdb::MsMs 3065297 Specdb::MsMs 3065298 Specdb::MsMs 3065299 Specdb::NmrOneD 3981 Specdb::NmrOneD 4265 Specdb::NmrOneD 305611 Specdb::NmrOneD 305612 Specdb::NmrOneD 305613 Specdb::NmrOneD 305614 Specdb::NmrOneD 305615 Specdb::NmrOneD 305616 Specdb::NmrOneD 305617 Specdb::NmrOneD 305618 Specdb::NmrOneD 305619 Specdb::NmrOneD 305620 Specdb::NmrOneD 305621 Specdb::NmrOneD 305622 Specdb::NmrOneD 305623 Specdb::NmrOneD 305624 Specdb::NmrOneD 305625 Specdb::NmrOneD 305626 Specdb::NmrOneD 305627 Specdb::NmrOneD 305628 Specdb::NmrOneD 305629 Specdb::NmrOneD 305630 Specdb::CMs 2451 Specdb::CMs 28808 Specdb::CMs 29078 Specdb::CMs 44725 Specdb::CMs 101786 Specdb::CMs 101787 Specdb::CMs 103760 Specdb::CMs 161822 Specdb::MsIr 7092 Specdb::MsIr 7093 Specdb::MsIr 7094 HMDB36100 17580 #<Reference:0x000055ce3227ae38> Allspice Type 1 specific Pimenta dioica 375272 0.5 0.5 0.5 mg/100 g Anise Type 1 specific Pimpinella anisum 271192 5.0 5.0 5.0 mg/100 g Apple Type 1 specific Malus pumila 283210 Apricot Type 1 specific Prunus armeniaca 36596 Beer Type 2 specific 5.480475 10.95 0.01095 mg/100 g Bilberry Type 1 specific Vaccinium myrtillus 180763 0.0002 0.0004 0.0 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 Black tea Type 1 Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 0.7 0.7 0.7 mg/100 g Caraway Type 1 specific Carum carvi 48032 7.2 7.2 7.2 mg/100 g Cardamom Type 1 specific Elettaria cardamomum 105181 464.4 464.4 464.4 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 16.7 30.2 3.2 mg/100 g Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 59.3 59.3 59.3 mg/100 g Cherimoya Type 1 specific Annona cherimola 49314 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Cinnamon Type 1 specific Cinnamomum 13428 Cloves Type 1 specific Syzygium aromaticum 219868 0.1 0.1 0.1 mg/100 g Cocoa bean Type 1 specific Theobroma cacao 3641 0.5 0.5 0.5 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 Common oregano Type 1 specific Origanum vulgare 39352 30.05 30.05 30.05 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 175.0 175.0 175.0 mg/100 g Common thyme Type 1 specific Thymus vulgaris 49992 872.0 872.0 872.0 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 1048.0 1048.0 1048.0 mg/100 g Corn Type 1 specific Zea mays 4577 Cornmint Type 1 specific Mentha arvensis 292239 Cucumber Type 1 specific Cucumis sativus 3659 Cumin Type 1 specific Cuminum cyminum 52462 17.4 17.4 17.4 mg/100 g Dill Type 1 specific Anethum graveolens 40922 Evergreen blackberry Type 1 specific Rubus laciniatus Fennel Type 1 specific Foeniculum vulgare 48038 54.275 102.55 6.0 mg/100 g Fig Type 1 specific Ficus carica 3494 Fruit juice Type 2 specific Fruits Unknown generic Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Ginger Type 1 specific Zingiber officinale 94328 Grape Type 1 specific Vitis 3603 Grape wine Type 2 specific Green bell pepper Type 1 specific Capsicum annuum 4072 Green tea Type 1 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Herbs and Spices Unknown generic Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0015 0.003 0.0 mg/100 g Hyssop Type 1 specific Hyssopus officinalis 39324 4.023333 8.01 0.055 mg/100 g Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.008 0.008 0.008 mg/100 g Lemon Type 1 specific Citrus limon 2708 Lemon balm Type 1 specific Melissa officinalis 39338 Lemon grass Type 1 specific Cymbopogon citratus 66014 Lichee Type 1 specific Litchi chinensis 151069 Lime Type 1 specific Citrus aurantiifolia 159033 1.45 1.45 1.45 mg/100 g Linden Type 1 specific Tilia 64580 Lovage Type 1 specific Levisticum officinale 48042 1.65 1.65 1.65 mg/100 g Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 30.65 30.65 30.65 mg/100 g Mugwort Type 1 specific Artemisia vulgaris 4220 Nutmeg Type 1 specific Myristica fragrans 51089 Orange bell pepper Type 1 specific Capsicum annuum 4072 Orange mint Type 1 specific Mentha aquatica 190902 207.0 207.0 207.0 mg/100 g Papaya Type 1 specific Carica papaya 3649 Parsley Type 1 specific Petroselinum crispum 4043 0.012 0.012 0.012 mg/100 g Peach Type 1 specific Prunus persica 3760 Pepper Type 1 specific Capsicum annuum 4072 Pepper (Spice) Type 1 specific Piper nigrum 13216 Peppermint Type 1 specific Mentha X piperita 34256 6.6 6.6 6.6 mg/100 g Pineapple Type 1 specific Ananas comosus 4615 Pot marjoram Type 1 specific Origanum onites 452416 6.95 10.0 3.9 mg/100 g Prickly pear Type 1 specific Opuntia 106975 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Red bell pepper Type 1 specific Capsicum annuum 4072 Red tea Type 1 Red wine Type 2 1.874373 7.49 0.0 mg/100 g Roselle Type 1 specific Hibiscus sabdariffa 183260 Rosemary Type 1 specific Rosmarinus officinalis 39367 9.3775 15.5 3.255 mg/100 g Saffron Type 1 specific Crocus sativus 82528 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Sour cherry Type 1 specific Prunus cerasus 140311 Spearmint Type 1 specific Mentha spicata 29719 1068.9 1668.5 469.3 mg/100 g Star anise Type 1 specific Illicium verum 124778 82.5 82.5 82.5 mg/100 g Summer savory Type 1 specific Satureja hortensis 49987 Sunflower Type 1 specific Helianthus annuus 4232 Sweet basil Type 1 specific Ocimum basilicum 39350 436.75 436.75 436.75 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 207.0 207.0 207.0 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 Sweet marjoram Type 1 specific Origanum majorana 268884 33.35 33.35 33.35 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 Tamarind Type 1 specific Tamarindus indica 58860 Tarragon Type 1 specific Artemisia dracunculus 72341 Tea Type 1 specific Camellia sinensis 4442 Turmeric Type 1 specific Curcuma longa 136217 160.0 160.0 160.0 mg/100 g White wine Type 2 0.0 0.0 0.0 mg/100 g Wild carrot Type 1 specific Daucus carota 4039 16.7 30.2 3.2 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 0.1 0.1 0.1 mg/100 g Winter savory Type 1 specific Satureja montana 49988 718.75 718.75 718.75 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 blueberry bois de rose citrus floral flower green lavender lemon orange sweet woody Acaricide 16 A substance used to destroy pests of the subclass Acari (mites and ticks). 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. Analgesic 56 An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. Anesthetic 62 Anti acetylcholinesterase 76 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti cariogenic 165 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti colic 195 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti convulsant 204 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti histaminic 331 Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Anti leukemic 393 A substance that inhibits or prevents the proliferation of neoplasms. Anti mite 438 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-allergic 103 A drug used to treat allergic reactions. Anti-anaphylactic 111 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-edemic 248 Anti-glutamaergic 303 Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-lymphomic 414 Anti-mange 417 Anti-mutagenic 451 Anti-shock 612 Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-viral 689 A substance that destroys or inhibits replication of viruses. Barbituate-synergist 726 Broncho elaxant 740 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Candidistat 757 Carminative 774 Central nervous system depressant 812 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Culicide 843 Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. Expectorant 925 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Fungicide 940 A substance used to destroy fungal pests. GABA nergic 945 A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems. Hypnotic 1012 Hypothermic 1023 Insecticide 1040 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Insectifuge 1041 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Irritant 1055 Larvicide 1063 Mosquitofuge 1117 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Motor depressant 1118 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. 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. Prooxidant 1252 Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. Termitifuge 1350 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Trichomonicide 1379 Tumor promoter 1387 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.