1.0 2010-04-08 22:04:50 UTC 2025-11-18 22:28:12 UTC FDB001119 2-C-Methyl-1,4-erythrono-D-lactone Constituent of Trifolium incarnatum (crimson clover) and Phaseolus vulgaris (kidney bean). 2-C-Methyl-1,4-erythrono-D-lactone is found in many foods, some of which are tea, yellow wax bean, green bean, and pulses. C5H8O4 132.1146 132.042258744 3,4-dihydroxy-3-methyloxolan-2-one 3,4-dihydroxy-3-methyloxolan-2-one 18465-71-9 CC1(O)C(O)COC1=O InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3 OHTGZAWPVDWARE-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteromonocyclic compounds 1,2-diols Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tertiary alcohols Tetrahydrofurans 1,2-diol Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -1.46 ALOGPS logs 0.80 ALOGPS solubility 8.36e+02 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 11.57 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4-dihydroxy-3-methyloxolan-2-one ChemAxon average_mass 132.1146 ChemAxon mono_mass 132.042258744 ChemAxon smiles CC1(O)C(O)COC1=O ChemAxon formula C5H8O4 ChemAxon inchi InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3 ChemAxon inchikey OHTGZAWPVDWARE-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 27.57 ChemAxon polarizability 11.64 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16693 Specdb::CMs 41612 Specdb::CMs 151875 Specdb::MsMs 10820 Specdb::MsMs 10821 Specdb::MsMs 10822 Specdb::MsMs 17492 Specdb::MsMs 17493 Specdb::MsMs 17494 Specdb::MsMs 2394406 Specdb::MsMs 2394407 Specdb::MsMs 2394408 Specdb::MsMs 2571689 Specdb::MsMs 2571690 Specdb::MsMs 2571691 Specdb::NmrOneD 159790 Specdb::NmrOneD 159791 Specdb::NmrOneD 159792 Specdb::NmrOneD 159793 Specdb::NmrOneD 159794 Specdb::NmrOneD 159795 Specdb::NmrOneD 159796 Specdb::NmrOneD 159797 Specdb::NmrOneD 159798 Specdb::NmrOneD 159799 Specdb::NmrOneD 159800 Specdb::NmrOneD 159801 Specdb::NmrOneD 159802 Specdb::NmrOneD 159803 Specdb::NmrOneD 159804 Specdb::NmrOneD 159805 Specdb::NmrOneD 159806 Specdb::NmrOneD 159807 Specdb::NmrOneD 159808 Specdb::NmrOneD 159809 HMDB0029884 Black tea Type 1 Green bean Type 1 specific Phaseolus vulgaris 3885 Green tea Type 1 Herbal tea Type 1 Pulses Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885