Record Information
Version1.0
Creation date2015-10-09 22:31:55 UTC
Update date2017-01-19 02:36:32 UTC
FoodComEx IDPC000678
FoodDB RecordFDB022991
Chemical Information
Name3-Methylsalicylic acid
Description3-Cresotinic acid is a salicylic acid derivative compound with marked fibrinolytic activity in human plasma by activating its fibrinolytic system. (PMID 6040385) [HMDB]
CAS Number83-40-9
Structure
Thumb
Synonyms
SynonymSource
2-Hydroxy-3-methyl-benzoatehmdb
2-Hydroxy-3-methyl-benzoic acidhmdb
2-Hydroxy-3-methylbenzoatehmdb
2-Hydroxy-3-methylbenzoic acidhmdb
2-Hydroxy-m-toluatehmdb
2-Hydroxy-m-toluic acidhmdb
2,3-Cresotatehmdb
2,3-Cresotic acidhmdb
2,3-Cresotinatehmdb
2,3-Cresotinic acidhmdb
3-Cresotinatehmdb
3-Cresotinic acidmanual
3-Methyl-2-hydroxybenzoatehmdb
3-Methyl-2-hydroxybenzoic acidhmdb
3-Methylsalicylatehmdb
3-Methylsalicylic acidhmdb
3-MethylsalicylsaeureChEBI
3-MSChEBI
Acide hydroxytoluiqueChEBI
Acido hidroxitoluicoChEBI
Acidum hydroxytoluicumChEBI
b-CresotinateGenerator
b-Cresotinic acidGenerator
beta-Cresotinatehmdb
beta-Cresotinic acidhmdb
CresotateGenerator
Cresotic acidChEBI
CresotinateGenerator
Cresotinic acidChEBI
HomosalicylateGenerator
Homosalicylic acidChEBI
HydroxytoluateGenerator
Hydroxytoluic acidhmdb
HydroxytoluylsaeureChEBI
O-CresotateGenerator
o-Cresotic acidhmdb
O-CresotinateGenerator
o-Cresotinic acidhmdb
O-HomosalicylateGenerator
o-Homosalicylic acidhmdb
β-cresotinateGenerator
β-cresotinic acidGenerator
Chemical FormulaC8H8O3
IUPAC name2-hydroxy-3-methylbenzoic acid
InChI IdentifierInChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI KeyWHSXTWFYRGOBGO-UHFFFAOYSA-N
Isomeric SMILESCC1=C(O)C(=CC=C1)C(O)=O
Average Molecular Weight152.1473
Monoisotopic Molecular Weight152.047344122
Chemical Taxonomy
Description Belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentSalicylic acids
Alternative Parents
Substituents
  • Salicylic acid
  • Benzoic acid
  • Benzoyl
  • O-cresol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Toluene
  • Phenol
  • Vinylogous acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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 1 g
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 G328
Toronto Research Chemicals M326080