1.0 2010-04-08 22:05:46 UTC 2025-11-18 22:51:37 UTC FDB003379 1,3-Butanediol Solv. 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-Butanediol &beta;-butylene glycol 1-Methyl-1,3-propanediol 1,3 Butylene glycol 1,3-Butandiol 1,3-Butanediol, (.+/-.)- 1,3-Butanediol, (R)- 1,3-Butanediol, (S)- 1,3-butanediol, DL- 1,3-Butanodiol 1,3-Butylene glycol 1,3-Butylenglykol 1,3-Dihydroxybutane b-Butylene glycol BD Beta-butylene glycol Butane-1,3-diol Butanediol,1,3- Butylene glycol DL-1,3-Butanediol Methyltrimethylene glycol C4H10O2 90.121 90.068079564 butane-1,3-diol 1,3-butanediol 107-88-0 CC(O)CCO InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 PUPZLCDOIYMWBV-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 Primary alcohols Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Secondary alcohol a glycol butanediol glycol logp -0.59 ALOGPS logs 0.92 ALOGPS solubility 7.42e+02 g/l ALOGPS melting_point <-50 oC logp -0.73 ChemAxon pka_strongest_acidic 15.41 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac butane-1,3-diol ChemAxon average_mass 90.121 ChemAxon mono_mass 90.068079564 ChemAxon smiles CC(O)CCO ChemAxon formula C4H10O2 ChemAxon inchi InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 ChemAxon inchikey PUPZLCDOIYMWBV-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 23.84 ChemAxon polarizability 9.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 796 Specdb::MsIr 4350 Specdb::MsIr 4351 Specdb::MsIr 4352 Specdb::NmrOneD 2110 Specdb::NmrOneD 2803 Specdb::NmrOneD 18542 Specdb::NmrOneD 18543 Specdb::NmrOneD 18544 Specdb::NmrOneD 18545 Specdb::NmrOneD 18546 Specdb::NmrOneD 18547 Specdb::NmrOneD 18548 Specdb::NmrOneD 18549 Specdb::NmrOneD 18550 Specdb::NmrOneD 18551 Specdb::NmrOneD 18552 Specdb::NmrOneD 18553 Specdb::NmrOneD 18554 Specdb::NmrOneD 18555 Specdb::NmrOneD 18556 Specdb::NmrOneD 18557 Specdb::NmrOneD 18558 Specdb::NmrOneD 18559 Specdb::NmrOneD 18560 Specdb::NmrOneD 18561 Specdb::MsMs 66681 Specdb::MsMs 66682 Specdb::MsMs 66683 Specdb::MsMs 124302 Specdb::MsMs 124303 Specdb::MsMs 124304 Specdb::MsMs 2332940 Specdb::MsMs 2332941 Specdb::MsMs 2332942 Specdb::MsMs 2633105 Specdb::MsMs 2633106 Specdb::MsMs 2633107 Specdb::CMs 14581 Specdb::CMs 29428 Specdb::CMs 29616 Specdb::CMs 42434 Specdb::CMs 100714 Specdb::CMs 100715 Specdb::CMs 119725 Specdb::CMs 155070 Specdb::CMs 806520 Specdb::CMs 806521 Specdb::CMs 806522 Specdb::CMs 806523 Specdb::CMs 806524 HMDB31320 52683 #<Reference:0x000055ce304f1218> Green bell pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072 bitter odorless