1.02010-04-08 22:05:46 UTC2020-02-24 19:10:44 UTCFDB0033791,3-ButanediolSolv. for flavouring agents
1,3-Butanediol is an organic chemical, an alcohol. It is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins. It is one of four stable isomers of butanediol. In biology, 1,3-butanediol is used as a hypoglycaemic agent. 1,3-Butanediol is found in many foods, some of which are yellow bell pepper, red bell pepper, green bell pepper, and orange bell pepper.(.+/-.)-1,3-butanediol(+/-)-1,3-Butanediol(R)-(-)-Butane-1,3-diol(R)-1,3-Butanediol(RS)-1,3-Butandiol(S)-(+)-1,3-Butanediol(S)-(+)-Butane-1,3-diol(S)-1,3-Butanediolβ-butylene glycol1-Methyl-1,3-propanediol1,3 Butylene glycol1,3-Butandiol1,3-Butanediol, (.+/-.)-1,3-Butanediol, (R)-1,3-Butanediol, (S)-1,3-butanediol, DL-1,3-Butanodiol1,3-Butylene glycol1,3-Butylenglykol1,3-Dihydroxybutaneb-Butylene glycolBDBeta-butylene glycolButane-1,3-diolButanediol,1,3-Butylene glycolDL-1,3-ButanediolMethyltrimethylene glycolC4H10O290.12190.068079564butane-1,3-diol1,3-butanediol107-88-0CC(O)CCOInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3PUPZLCDOIYMWBV-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 alcoholsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyolsAliphatic acyclic compoundsHydrocarbon derivativesPrimary alcoholsAliphatic acyclic compoundHydrocarbon derivativePrimary alcoholSecondary alcohola glycolbutanediolglycollogp-0.59logs0.92solubility7.42e+02 g/lmelting_point<-50 oClogp-0.73pka_strongest_acidic15.41pka_strongest_basic-2.4iupacbutane-1,3-diolaverage_mass90.121mono_mass90.068079564smilesCC(O)CCOformulaC4H10O2inchiInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3inchikeyPUPZLCDOIYMWBV-UHFFFAOYSA-Npolar_surface_area40.46refractivity23.84polarizability9.96rotatable_bond_count2acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::EiMs796Specdb::MsIr4350Specdb::MsIr4351Specdb::MsIr4352Specdb::CMs14581Specdb::CMs29428Specdb::CMs29616Specdb::CMs42434Specdb::CMs100714Specdb::CMs100715Specdb::CMs119725Specdb::CMs155070Specdb::CMs806520Specdb::CMs806521Specdb::CMs806522Specdb::CMs806523Specdb::CMs806524Specdb::NmrOneD2110Specdb::NmrOneD2803Specdb::NmrOneD18542Specdb::NmrOneD18543Specdb::NmrOneD18544Specdb::NmrOneD18545Specdb::NmrOneD18546Specdb::NmrOneD18547Specdb::NmrOneD18548Specdb::NmrOneD18549Specdb::NmrOneD18550Specdb::NmrOneD18551Specdb::NmrOneD18552Specdb::NmrOneD18553Specdb::NmrOneD18554Specdb::NmrOneD18555Specdb::NmrOneD18556Specdb::NmrOneD18557Specdb::NmrOneD18558Specdb::NmrOneD18559Specdb::NmrOneD18560Specdb::NmrOneD18561Specdb::MsMs66681Specdb::MsMs66682Specdb::MsMs66683Specdb::MsMs124302Specdb::MsMs124303Specdb::MsMs124304Specdb::MsMs2332940Specdb::MsMs2332941Specdb::MsMs2332942Specdb::MsMs2633105Specdb::MsMs2633106Specdb::MsMs2633107HMDB3132052683#<Reference:0x0000555675abad08>Green bell pepperType 1specificCapsicum annuum4072Orange bell pepperType 1specificCapsicum annuum4072PepperType 1specificCapsicum annuum4072Red bell pepperType 1specificCapsicum annuum4072Yellow bell pepperType 1specificCapsicum annuum4072bitterodorless