1.02010-04-08 22:09:54 UTC2019-11-26 03:05:46 UTCFDB0119342,3-Butanediol2,3-Butanediol is one of the constitutional isomers of butanediol. The 2R,3R stereoisomer of 2,3-butanediol is produced by a variety of microorganisms, in a process known as butanediol fermentation. It is found in cocoa butter and in the roots of Ruta graveolens.2,3-Butandiol2,3-Butanodiol2,3-Butylene glycol2,3-DihydroxybutaneButane-2,3-diolD-2,3-Butane diolDimethylene glycolDimethylethylene glycolDL-2,3-ButanediolPseudobutylene glycolSym-dimethylethylene glycolC4H10O290.12190.068079564butane-2,3-diol2,3-butanediol513-85-9CC(O)C(C)OInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3OWBTYPJTUOEWEK-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.1,2-diolsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyolsAliphatic acyclic compoundsHydrocarbon derivativesSecondary alcohols1,2-diolAliphatic acyclic compoundHydrocarbon derivativeSecondary alcohola 2,3-butanediolbutanediolglycolsecondary alcoholSolidlogp-0.59logs0.83solubility6.03e+02 g/lmelting_point25 oClogp-0.38pka_strongest_acidic14.22pka_strongest_basic-3iupacbutane-2,3-diolaverage_mass90.121mono_mass90.068079564smilesCC(O)C(C)OformulaC4H10O2inchiInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3inchikeyOWBTYPJTUOEWEK-UHFFFAOYSA-Npolar_surface_area40.46refractivity23.39polarizability9.87rotatable_bond_count1acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::NmrTwoD1867Specdb::CMs3320Specdb::CMs29429Specdb::CMs29531Specdb::CMs38534Specdb::CMs99799Specdb::CMs99800Specdb::CMs118937Specdb::CMs135856Specdb::CMs143590Specdb::CMs933658Specdb::CMs933659Specdb::CMs933660Specdb::NmrOneD1932Specdb::NmrOneD4591Specdb::NmrOneD129358Specdb::NmrOneD129359Specdb::NmrOneD129360Specdb::NmrOneD129361Specdb::NmrOneD129362Specdb::NmrOneD129363Specdb::NmrOneD129364Specdb::NmrOneD129365Specdb::NmrOneD129366Specdb::NmrOneD129367Specdb::NmrOneD129368Specdb::NmrOneD129369Specdb::NmrOneD129370Specdb::NmrOneD129371Specdb::NmrOneD129372Specdb::NmrOneD129373Specdb::NmrOneD129374Specdb::NmrOneD129375Specdb::NmrOneD129376Specdb::NmrOneD129377Specdb::MsMs2203Specdb::MsMs2204Specdb::MsMs2205Specdb::MsMs5848Specdb::MsMs5849Specdb::MsMs179919Specdb::MsMs179920Specdb::MsMs179921Specdb::MsMs182253Specdb::MsMs182254Specdb::MsMs182255Specdb::MsMs2232463Specdb::MsMs2422749Specdb::MsMs2422750Specdb::MsMs2422751Specdb::MsMs2512827Specdb::MsMs2512828Specdb::MsMs2512829HMDB03156#<Reference:0x00005556761c1d68>#<Reference:0x00005556761c1b10>#<Reference:0x00005556761c18b8>#<Reference:0x00005556761c1688>#<Reference:0x00005556761c14a8>#<Reference:0x00005556761c1250>#<Reference:0x00005556761c0f58>#<Reference:0x00005556761c0d28>#<Reference:0x00005556761c0aa8>#<Reference:0x00005556761c07d8>#<Reference:0x00005556761c04b8>#<Reference:0x00005556761c0210>#<Reference:0x00005556761c0008>#<Reference:0x00005556761bfd60>#<Reference:0x00005556761bfb08>#<Reference:0x00005556761bf900>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BeerType 2specific0.00.00.0mg/100 gBisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031CoconutType 1specificCocos nucifera13894Columbidae (Dove, Pigeon)Type 1specificColumbidae8930CornType 1specificZea mays45770.00.00.0mg/LDeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Grape wineType 2specific0.00.00.0mg/100 gGreen bell pepperType 1specificCapsicum annuum4072Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871Orange bell pepperType 1specificCapsicum annuum4072OstrichType 1specificStruthio camelus8801PepperType 1specificCapsicum annuum4072PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Red bell pepperType 1specificCapsicum annuum4072Red wineType 20.00.00.0mg/100 gRock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931Tortilla chipType 2specificTurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823Yellow bell pepperType 1specificCapsicum annuum4072butterycreamyfruitfruityonionVitamin K epoxide reductase complex subunit 1Q9BQB6VKORC1