1.0 2010-04-08 22:09:22 UTC 2025-11-18 23:22:56 UTC FDB010906 Kojic acid Synthetic intermed. for prodn. of food additives 2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one 2-Hydroxymethyl-5-hydroxy-gamma-pyrone 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)- 5-Hydroxy-2-(hydroxymethyl)-4-pyrone 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one 5-hydroxy-2-(hydroxymethyl)pyran-4-one 5-hydroxy-2-hydroxymethyl-4-pyrone 5-Hydroxy-2-hydroxymethyl-4H-4-pyranone Acido kojico KOJ Kojate Kojic acid Kojisaeure Pyran-4-one, 5-hydroxy-2-(hydroxymethyl) C6H6O4 142.1094 142.02660868 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one kojic acid 501-30-4 OCC1=CC(=O)C(O)=CO1 InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 BEJNERDRQOWKJM-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Pyranones and derivatives Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteromonocyclic compounds Aromatic alcohols Cyclic ketones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Cyclic ketone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol Pyranone enol primary alcohol pyranone logp -1.02 ALOGPS logs -0.19 ALOGPS solubility 9.23e+01 g/l ALOGPS melting_point Mp 161° (152°) logp -0.5 ChemAxon pka_strongest_acidic 9.3 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one ChemAxon average_mass 142.1094 ChemAxon mono_mass 142.02660868 ChemAxon smiles OCC1=CC(=O)C(O)=CO1 ChemAxon formula C6H6O4 ChemAxon inchi InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 ChemAxon inchikey BEJNERDRQOWKJM-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 35.27 ChemAxon polarizability 12.63 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 820 Specdb::CMs 1353 Specdb::CMs 25276 Specdb::CMs 27461 Specdb::CMs 27464 Specdb::CMs 30135 Specdb::CMs 30585 Specdb::CMs 31626 Specdb::CMs 43022 Specdb::CMs 173632 Specdb::MsIr 5796 Specdb::MsIr 5797 Specdb::MsIr 5798 Specdb::NmrOneD 116678 Specdb::NmrOneD 116679 Specdb::NmrOneD 116680 Specdb::NmrOneD 116681 Specdb::NmrOneD 116682 Specdb::NmrOneD 116683 Specdb::NmrOneD 116684 Specdb::NmrOneD 116685 Specdb::NmrOneD 116686 Specdb::NmrOneD 116687 Specdb::NmrOneD 116688 Specdb::NmrOneD 116689 Specdb::NmrOneD 116690 Specdb::NmrOneD 116691 Specdb::NmrOneD 116692 Specdb::NmrOneD 116693 Specdb::NmrOneD 116694 Specdb::NmrOneD 116695 Specdb::NmrOneD 116696 Specdb::NmrOneD 116697 Specdb::MsMs 96840 Specdb::MsMs 96841 Specdb::MsMs 96842 Specdb::MsMs 161424 Specdb::MsMs 161425 Specdb::MsMs 161426 Specdb::MsMs 439395 Specdb::MsMs 439742 Specdb::MsMs 2233092 Specdb::MsMs 2797964 Specdb::MsMs 2797965 Specdb::MsMs 2797966 Specdb::MsMs 2880983 Specdb::MsMs 2880984 Specdb::MsMs 2880985 HMDB32923 34805 KOJ #<Reference:0x000055ce317e41b8> #<Reference:0x000055ce317e3fb0>