Record Information
Version1.0
Creation date2010-04-08 22:09:22 UTC
Update date2015-07-20 22:36:23 UTC
Primary IDFDB010906
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameKojic acid
DescriptionSynthetic intermed. for prodn. of food additives
CAS Number501-30-4
Structure
Thumb
Synonyms
SynonymSource
2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-onebiospider
2-Hydroxymethyl-5-hydroxy-gamma-pyronebiospider
4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-biospider
5-Hydroxy-2-(hydroxymethyl)-4-pyronebiospider
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-oneHMDB
5-hydroxy-2-(hydroxymethyl)pyran-4-onebiospider
5-hydroxy-2-hydroxymethyl-4-pyronebiospider
5-Hydroxy-2-hydroxymethyl-4H-4-pyranonebiospider
Acido kojicobiospider
KOJbiospider
KojateGenerator
Kojic aciddb_source
KojisaeureChEBI
Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)biospider
Predicted PropertiesNot Available
Chemical FormulaC6H6O4
IUPAC name
InChI IdentifierInChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
InChI KeyBEJNERDRQOWKJM-UHFFFAOYSA-N
Isomeric SMILESOCC1=CC(=O)C(O)=CO1
Average Molecular Weight142.1094
Monoisotopic Molecular Weight142.02660868
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 50.71%; H 4.26%; O 45.03%DFC
Melting PointMp 161° (152°)DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logP-0.64KONTOGHIORGHES,GJ (1988)
Experimental pKa7.66
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV Data[base] lmax 319 (e 6020) (MeOH/NaOH) (Berdy)DFC
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID3708
ChEMBL IDCHEMBL287556
KEGG Compound IDC14516
Pubchem Compound ID3840
Pubchem Substance IDNot Available
ChEBI ID34805
Phenol-Explorer IDNot Available
DrugBank IDDB01759
HMDB IDHMDB32923
CRC / DFC (Dictionary of Food Compounds) IDFTS56-K:FTS56-K
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDKOJ
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference