1.0 2010-04-08 22:09:54 UTC 2019-11-26 03:05:46 UTC FDB011934 2,3-Butanediol 2,3-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-Butandiol 2,3-Butanodiol 2,3-Butylene glycol 2,3-Dihydroxybutane Butane-2,3-diol D-2,3-Butane diol Dimethylene glycol Dimethylethylene glycol DL-2,3-Butanediol Pseudobutylene glycol Sym-dimethylethylene glycol C4H10O2 90.121 90.068079564 butane-2,3-diol 2,3-butanediol 513-85-9 CC(O)C(C)O InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 OWBTYPJTUOEWEK-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-diols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Secondary alcohols 1,2-diol Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol a 2,3-butanediol butanediol glycol secondary alcohol Solid logp -0.59 ALOGPS logs 0.83 ALOGPS solubility 6.03e+02 g/l ALOGPS melting_point 25 oC logp -0.38 ChemAxon pka_strongest_acidic 14.22 ChemAxon pka_strongest_basic -3 ChemAxon iupac butane-2,3-diol ChemAxon average_mass 90.121 ChemAxon mono_mass 90.068079564 ChemAxon smiles CC(O)C(C)O ChemAxon formula C4H10O2 ChemAxon inchi InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 ChemAxon inchikey OWBTYPJTUOEWEK-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 23.39 ChemAxon polarizability 9.87 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1867 Specdb::NmrOneD 1932 Specdb::NmrOneD 4591 Specdb::NmrOneD 129358 Specdb::NmrOneD 129359 Specdb::NmrOneD 129360 Specdb::NmrOneD 129361 Specdb::NmrOneD 129362 Specdb::NmrOneD 129363 Specdb::NmrOneD 129364 Specdb::NmrOneD 129365 Specdb::NmrOneD 129366 Specdb::NmrOneD 129367 Specdb::NmrOneD 129368 Specdb::NmrOneD 129369 Specdb::NmrOneD 129370 Specdb::NmrOneD 129371 Specdb::NmrOneD 129372 Specdb::NmrOneD 129373 Specdb::NmrOneD 129374 Specdb::NmrOneD 129375 Specdb::NmrOneD 129376 Specdb::NmrOneD 129377 Specdb::CMs 3320 Specdb::CMs 29429 Specdb::CMs 29531 Specdb::CMs 38534 Specdb::CMs 99799 Specdb::CMs 99800 Specdb::CMs 118937 Specdb::CMs 135856 Specdb::CMs 143590 Specdb::CMs 933658 Specdb::CMs 933659 Specdb::CMs 933660 Specdb::MsMs 2203 Specdb::MsMs 2204 Specdb::MsMs 2205 Specdb::MsMs 5848 Specdb::MsMs 5849 Specdb::MsMs 179919 Specdb::MsMs 179920 Specdb::MsMs 179921 Specdb::MsMs 182253 Specdb::MsMs 182254 Specdb::MsMs 182255 Specdb::MsMs 2232463 Specdb::MsMs 2422749 Specdb::MsMs 2422750 Specdb::MsMs 2422751 Specdb::MsMs 2512827 Specdb::MsMs 2512828 Specdb::MsMs 2512829 HMDB03156 #<Reference:0x000055ce32378650> #<Reference:0x000055ce32378498> #<Reference:0x000055ce323782e0> #<Reference:0x000055ce32378128> #<Reference:0x000055ce32377f98> #<Reference:0x000055ce32377db8> #<Reference:0x000055ce32377c00> #<Reference:0x000055ce32377a48> #<Reference:0x000055ce32377868> #<Reference:0x000055ce323776b0> #<Reference:0x000055ce323774f8> #<Reference:0x000055ce32377340> #<Reference:0x000055ce32377188> #<Reference:0x000055ce32376fa8> #<Reference:0x000055ce32376dc8> #<Reference:0x000055ce32376c10> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Coconut Type 1 specific Cocos nucifera 13894 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/L 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 Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Orange bell pepper Type 1 specific Capsicum annuum 4072 Ostrich Type 1 specific Struthio camelus 8801 Pepper Type 1 specific Capsicum annuum 4072 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red bell pepper Type 1 specific Capsicum annuum 4072 Red wine Type 2 0.0 0.0 0.0 mg/100 g Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Tortilla chip Type 2 specific Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Yellow bell pepper Type 1 specific Capsicum annuum 4072 buttery creamy fruit fruity onion Vitamin K epoxide reductase complex subunit 1 Q9BQB6 VKORC1