Record Information
Version1.0
Creation date2015-10-09 22:32:40 UTC
Update date2017-01-19 02:36:36 UTC
FoodComEx IDPC000787
FoodDB RecordFDB022696
Chemical Information
NamePhenylglyoxylic acid
DescriptionPhenylglyoxylic acid is one of the major urinary metabolites of toluene, o-, m- and p-xylenes, styrene and ethylbenzene. (PMID 3782394) For the biological monitoring of workers exposure to solvent used in industry, its concentration is measured in human urine samples. (PMID 2739101) [HMDB]
CAS Number611-73-4
Structure
Thumb
Synonyms
SynonymSource
2-oxo-2-PhenylacetateChEBI
2-Oxo-2-phenylacetic acidhmdb
a-KetophenylacetateGenerator
a-Ketophenylacetic acidhmdb
a-oxo-BenzeneacetateGenerator
a-oxo-Benzeneacetic acidGenerator
a-Oxobenzeneacetic acidhmdb
alpha-KetophenylacetateGenerator
alpha-Ketophenylacetic acidhmdb
alpha-oxo-BenzeneacetateGenerator
alpha-oxo-Benzeneacetic acidChEBI
alpha-Oxobenzeneacetic acidhmdb
BenzeneglyoxylateGenerator
Benzeneglyoxylic acidChEBI
BENZOYL-formateGenerator
benzoyl-Formic acidhmdb
BenzoylformateChEBI
benzoylformic acidhmdb
Oxophenylacetic acidhmdb
Phenylgloxylic acidhmdb
PhenylglyoxylateChEBI
Phenylglyoxylic acidhmdb
Phenyloxoacetic acidhmdb
α-ketophenylacetateGenerator
α-ketophenylacetic acidGenerator
α-oxo-benzeneacetateGenerator
α-oxo-benzeneacetic acidGenerator
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChI KeyFAQJJMHZNSSFSM-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C(=O)C1=CC=CC=C1
Average Molecular Weight150.1314
Monoisotopic Molecular Weight150.031694058
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 700 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci D777
AKSci J90551
MetaSci HMDB0001587
Sigma-Aldrich HMDB0001587
Toronto Research Chemicals P327500