1.0 2010-04-08 22:10:15 UTC 2020-09-17 15:35:52 UTC FDB012583 1-Octanol Octanol, also known as capryl alcohol, 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. Thus, octanol is considered to be a fatty alcohol lipid molecule. Octanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Octanol occurs naturally in the form of esters in some essential oils. The distribution of a compound between water and octanol is used to calculate the partition coefficient (logP) of that molecule. Water/octanol partitioning is a good approximation of the partitioning between the cytosol and lipid membranes of living systems. Octanol is a colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. 1-Hydroxyoctane 1-Octyl alcohol 1-Oktanol 2-Octanol 2-Octanol ~99% Alcohol C-8 Alcohol, n-octyl Alfol 8 Capryl alcohol Caprylic alcohol Dytol m-83 Emery 3322 Emery 3324 Epal 8 FEMA 2800 Heptyl carbinol Hexyl methyl carbinol Lorol 20 Lorol C8 n-Capryl alcohol n-Caprylic alcohol N-Heptyl carbinol n-Octan-1-ol n-Octanol n-Octyl alcohol N-Octyl-alcohol Octan-1-ol Octan-2-ol 98+ % Octilin Octyl alcohol Octyl alcohol normal-primary Octyl-alcohol Prim-N-octyl alcohol Primary octyl alcohol Sipol L8 C8H18O 130.2279 130.135765198 octan-1-ol octanol 111-87-5 CCCCCCCCO InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 KBPLFHHGFOOTCA-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 alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Fatty alcohols a small molecule octanol primary alcohol Liquid logp 3.21 ALOGPS logs -2.39 ALOGPS solubility 5.32e-01 g/l ALOGPS melting_point Mp -16.7° logp 2.58 ChemAxon pka_strongest_acidic 16.84 ChemAxon pka_strongest_basic -2 ChemAxon iupac octan-1-ol ChemAxon average_mass 130.2279 ChemAxon mono_mass 130.135765198 ChemAxon smiles CCCCCCCCO ChemAxon formula C8H18O ChemAxon inchi InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 ChemAxon inchikey KBPLFHHGFOOTCA-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 40.54 ChemAxon polarizability 17.42 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1836 Specdb::NmrTwoD 1597 Specdb::MsIr 1119 Specdb::MsIr 1120 Specdb::MsIr 1121 Specdb::NmrOneD 1656 Specdb::NmrOneD 3798 Specdb::NmrOneD 4062 Specdb::NmrOneD 4971 Specdb::CMs 940 Specdb::CMs 2622 Specdb::CMs 26831 Specdb::CMs 27162 Specdb::CMs 27976 Specdb::CMs 28180 Specdb::CMs 28472 Specdb::CMs 28865 Specdb::CMs 31284 Specdb::CMs 37963 Specdb::CMs 165472 Specdb::MsMs 6298 Specdb::MsMs 6299 Specdb::MsMs 6300 Specdb::MsMs 6301 Specdb::MsMs 6302 Specdb::MsMs 6303 Specdb::MsMs 178551 Specdb::MsMs 178552 Specdb::MsMs 178553 Specdb::MsMs 180870 Specdb::MsMs 180871 Specdb::MsMs 180872 Specdb::MsMs 2231335 Specdb::MsMs 2463798 Specdb::MsMs 2463799 Specdb::MsMs 2463800 Specdb::MsMs 2501612 Specdb::MsMs 2501613 Specdb::MsMs 2501614 HMDB01183 OC9 #<Reference:0x000055ac3ea9d158> #<Reference:0x000055ac3ea9ced8> #<Reference:0x000055ac3ea9cc80> #<Reference:0x000055ac3ea9ca78> #<Reference:0x000055ac3ea9c870> #<Reference:0x000055ac3ea9bd58> #<Reference:0x000055ac3ea9bba0> #<Reference:0x000055ac3ea9b998> #<Reference:0x000055ac3ea9b740> #<Reference:0x000055ac3ea9b4c0> #<Reference:0x000055ac3ea9b1a0> #<Reference:0x000055ac3ea9aed0> #<Reference:0x000055ac3ea9ac78> #<Reference:0x000055ac3ea9a9d0> #<Reference:0x000055ac3ea9a700> #<Reference:0x000055ac3ea9a4a8> #<Reference:0x000055ac3ea9a200> #<Reference:0x000055ac3ea99f30> #<Reference:0x000055ac3ea99c88> #<Reference:0x000055ac3ea99a30> #<Reference:0x000055ac3ea99788> Allspice Type 1 specific Pimenta dioica 375272 Anatidae Type 1 specific Anatidae 8830 Asian pear Type 1 specific Pyrus pyrifolia 3767 Asparagus Type 1 specific Asparagus officinalis 4686 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Black tea Type 1 Blackberry Type 1 specific Rubus Broccoli Type 1 specific Brassica oleracea var. italica 36774 Buffalo Type 1 specific Bubalus bubalis 89462 Cardamom Type 1 specific Elettaria cardamomum 105181 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Common grape Type 1 specific Vitis vinifera 29760 Common wheat Type 1 specific Triticum aestivum 4565 Coriander Type 1 specific Coriandrum sativum 4047 50.4 50.4 50.4 mg/100 g Corn Type 1 specific Zea mays 4577 750.0 750.0 750.0 mg/100 g Cucumber Type 1 specific Cucumis sativus 3659 Deer Type 1 specific Cervidae 9850 Dill Type 1 specific Anethum graveolens 40922 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Evergreen blackberry Type 1 specific Rubus laciniatus Ginger Type 1 specific Zingiber officinale 94328 Green tea Type 1 Greylag goose Type 1 specific Anser anser 8843 Guava Type 1 specific Psidium guajava 120290 Guinea hen Type 1 specific Numida meleagris 8996 Herbal tea Type 1 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 Horse Type 1 specific Equus caballus 9796 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.002 0.002 0.002 mg/100 g Lemon Type 1 specific Citrus limon 2708 1.25 1.25 1.25 mg/100 g Lime Type 1 specific Citrus aurantiifolia 159033 0.1 0.1 0.1 mg/100 g Mallard duck Type 1 specific Anas platyrhynchos 8839 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 0.9 0.9 0.9 mg/100 g Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Mung bean Type 1 specific Vigna radiata 157791 Oat Type 1 specific Avena sativa 4498 Ostrich Type 1 specific Struthio camelus 8801 Parsnip Type 1 specific Pastinaca sativa 4041 Pear Type 1 specific Pyrus communis 23211 Pheasant Type 1 specific Phasianus colchicus 9054 Prickly pear Type 1 specific Opuntia 106975 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red tea Type 1 Red wine Type 2 0.01265 0.01265 0.01265 mg/L Rock ptarmigan Type 1 specific Lagopus muta 64668 Rocket salad (ssp.) Type 1 specific Eruca vesicaria ssp. sativa 29727 Rosemary Type 1 specific Rosmarinus officinalis 39367 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Shiitake Type 1 specific Lentinus edodes 5353 Soy bean Type 1 specific Glycine max 3847 Spearmint Type 1 specific Mentha spicata 29719 1.75 1.75 1.75 mg/100 g Squab Type 1 specific Columba 8931 Sweet basil Type 1 specific Ocimum basilicum 39350 Sweet orange Type 1 specific Citrus sinensis 2711 Tamarind Type 1 specific Tamarindus indica 58860 Tea Type 1 specific Camellia sinensis 4442 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Watermelon Type 1 specific Citrullus lanatus 3654 Wild boar Type 1 specific Sus scrofa 9823 Winter savory Type 1 specific Satureja montana 49988 2.8 2.8 2.8 mg/100 g aldehydic burnt chemical green metal mushroom orange rose waxy