1.0 2010-04-08 22:05:47 UTC 2019-11-26 02:59:07 UTC FDB003382 2-Butanol Isolated from fruit of blackcurrant (Ribes nigrum) and other fruitsand is also present in various cheeses, wines, black tea, endive and clary sage. Flavouring agent 2-Butanol, or sec-butanol, is an organic compound with formula CH3CH(OH)CH2CH3. This secondary alcohol is a flammable, colorless liquid that is soluble in 12 parts water and completely miscible with polar organic solvents such as ethers and other alcohols. It is produced on a large scale, primarily as a precursor to the industrial solvent methyl ethyl ketone. 2-Butanol is chiral and thus can be obtained as either of two stereoisomers designated as (R)-(-)-2-butanol and (S)-(+)-2-butanol. It is normally found as an equal mixture of the two stereoisomers — a racemic mixture. 2-Butanol is found in many foods, some of which are highbush blueberry, milk and milk products, rosemary, and tea. (+/-)-2-Butanol 1-Methyl propanol 1-Methyl-1-propanol 1-Methylpropyl alcohol 2-Butyl alcohol 2-Hydroxybutane Alcool butylique secondaire Butan-2-ol Butanol secondaire Butanol-2 Butylene hydrate D-Sec-butanol Ethyl methyl carbinol Isobutyl alcohol L-Sec-butanol Methyl ethyl carbinol Methylethylcarbinol n-Butan-2-ol S-Butanol S-Butyl alcohol S-Butylalkohol S.b.a. Sec-Butanol Sec-Butyl alcohol Sec-Butyl hydroxide Sec-C4H9OH C4H10O 74.1216 74.073164942 butan-2-ol 2-butanol 78-92-2 CCC(C)O InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 BTANRVKWQNVYAZ-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol a small molecule secondary alcohol Liquid logp 0.66 ALOGPS logs 0.42 ALOGPS solubility 1.95e+02 g/l ALOGPS melting_point -114.7 oC logp 0.78 ChemAxon pka_strongest_acidic 17.69 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac butan-2-ol ChemAxon average_mass 74.1216 ChemAxon mono_mass 74.073164942 ChemAxon smiles CCC(C)O ChemAxon formula C4H10O ChemAxon inchi InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 ChemAxon inchikey BTANRVKWQNVYAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 21.95 ChemAxon polarizability 9.07 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1952 Specdb::MsIr 2513 Specdb::MsIr 2514 Specdb::MsIr 2515 Specdb::NmrOneD 3984 Specdb::NmrOneD 4268 Specdb::CMs 12764 Specdb::CMs 26821 Specdb::CMs 27167 Specdb::CMs 28646 Specdb::CMs 39594 Specdb::CMs 99953 Specdb::CMs 99954 Specdb::CMs 99955 Specdb::CMs 150806 Specdb::MsMs 9167 Specdb::MsMs 9168 Specdb::MsMs 9169 Specdb::MsMs 15839 Specdb::MsMs 15840 Specdb::MsMs 15841 Specdb::MsMs 2315867 Specdb::MsMs 2315868 Specdb::MsMs 2315869 Specdb::MsMs 2622749 Specdb::MsMs 2622750 Specdb::MsMs 2622751 HMDB11469 35687 Alcoholic beverages Unknown generic Anatidae Type 1 specific Anatidae 8830 Apple Type 1 specific Malus pumila 283210 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bilberry Type 1 specific Vaccinium myrtillus 180763 0.0005 0.001 0.0 mg/100 g Bison Type 1 specific Bison bison 9901 Black tea Type 1 Blackcurrant Type 1 specific Ribes nigrum 78511 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 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 Fruits Unknown generic Ginger Type 1 specific Zingiber officinale 94328 Green tea Type 1 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Herbal tea Type 1 Herbs and Spices Unknown generic Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.00065 0.0013 0.0 mg/100 g Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk and milk products Unknown generic Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red tea Type 1 Rock ptarmigan Type 1 specific Lagopus muta 64668 Rosemary Type 1 specific Rosmarinus officinalis 39367 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Tea Type 1 specific Camellia sinensis 4442 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 White wine Type 2 4.18 4.18 4.18 mg/100 g Wild boar Type 1 specific Sus scrofa 9823 apricot oily sweet wine