Record Information
Version1.0
Creation date2015-10-09 22:31:55 UTC
Update date2017-01-19 02:36:32 UTC
FoodComEx IDPC000677
FoodDB RecordFDB023425
Chemical Information
Name4-Hydroxy-3-methylbenzoic acid
Description4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population. (PMID 8087979) [HMDB]
CAS Number499-76-3
Structure
Thumb
Synonyms
SynonymSource
3-Methyl-4-hydroxybenzoatehmdb
3-Methyl-4-hydroxybenzoic acidhmdb
4-hydroxy-3-methyl-Benzoatehmdb
4-hydroxy-3-methyl-Benzoic acidhmdb
4-Hydroxy-3-methylbenzoatehmdb
4-Hydroxy-3-methylbenzoic acidhmdb
4,3-Cresotic acidhmdb
Chemical FormulaC8H8O3
IUPAC name4-hydroxy-3-methylbenzoic acid
InChI IdentifierInChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
InChI KeyLTFHNKUKQYVHDX-UHFFFAOYSA-N
Isomeric SMILESCC1=CC(=CC=C1O)C(O)=O
Average Molecular Weight152.1473
Monoisotopic Molecular Weight152.047344122
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 400 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 C235
MetaSci HMDB0004815
Sigma-Aldrich HMDB0004815
Toronto Research Chemicals H972655