1.0 2010-04-08 22:10:35 UTC 2025-11-18 23:42:17 UTC FDB013209 3-Hydroxy-4-butanolide Constituent of Crocus sativus (saffron). 3-Hydroxy-4-butanolide is found in tea and herbs and spices. C10H16O8 264.2292 264.084517488 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one 211107-44-7 OCC1OC(OC2COC(=O)C2)C(O)C(O)C1O InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2 MQEPWBMWFIVRPS-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp -2.56 ALOGPS logs 0.32 ALOGPS solubility 5.56e+02 g/l ALOGPS melting_point Mp 156-157° logp -2.5 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one ChemAxon average_mass 264.2292 ChemAxon mono_mass 264.084517488 ChemAxon smiles OCC1OC(OC2COC(=O)C2)C(O)C(O)C1O ChemAxon formula C10H16O8 ChemAxon inchi InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2 ChemAxon inchikey MQEPWBMWFIVRPS-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 53.93 ChemAxon polarizability 24.45 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72954 Specdb::MsMs 72955 Specdb::MsMs 72956 Specdb::MsMs 132012 Specdb::MsMs 132013 Specdb::MsMs 132014 Specdb::MsMs 2755963 Specdb::MsMs 2755964 Specdb::MsMs 2755965 Specdb::MsMs 2952999 Specdb::MsMs 2953000 Specdb::MsMs 2953001 Specdb::CMs 19461 Specdb::CMs 43993 Specdb::CMs 128892 Specdb::CMs 145904 Specdb::CMs 918977 Specdb::CMs 918978 Specdb::CMs 918979 Specdb::CMs 918980 Specdb::CMs 918981 Specdb::CMs 918982 Specdb::CMs 918983 Specdb::CMs 918984 Specdb::CMs 918985 Specdb::CMs 918986 Specdb::CMs 918987 Specdb::CMs 918988 Specdb::CMs 918989 Specdb::CMs 918990 Specdb::CMs 918991 Specdb::CMs 918992 Specdb::CMs 918993 Specdb::CMs 918994 Specdb::CMs 918995 Specdb::CMs 918996 Specdb::CMs 918997 Specdb::NmrOneD 127198 Specdb::NmrOneD 127199 Specdb::NmrOneD 127200 Specdb::NmrOneD 127201 Specdb::NmrOneD 127202 Specdb::NmrOneD 127203 Specdb::NmrOneD 127204 Specdb::NmrOneD 127205 Specdb::NmrOneD 127206 Specdb::NmrOneD 127207 Specdb::NmrOneD 127208 Specdb::NmrOneD 127209 Specdb::NmrOneD 127210 Specdb::NmrOneD 127211 Specdb::NmrOneD 127212 Specdb::NmrOneD 127213 Specdb::NmrOneD 127214 Specdb::NmrOneD 127215 Specdb::NmrOneD 127216 Specdb::NmrOneD 127217 HMDB34681 #<Reference:0x000055ce321d9ce0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442