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Substance Name: 5-Methylsalicylic acid
RN: 89-56-5
UNII: 6GAI2MTV5V
InChIKey: DLGBEGBHXSAQOC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-O3

Molecular Weight

  • 152.1482
 
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Names and Synonyms

Name of Substance

  • 5-Methylsalicylic acid

Synonyms

  • 2-Hydroxy-5-methylbenzoic acid
  • 4-10-00-00610 (Beilstein Handbook Reference)
  • 5-Methyl-2-hydroxybenzoic acid
  • 5-Methylsalicylic acid
  • 6-Hydroxy-3-methylbenzoic acid
  • 6-Hydroxy-m-toluic acid
  • AI3-25422
  • alpha-Cresotinic acid
  • BRN 1909076
  • EINECS 201-918-6
  • NSC 38518
  • p-Cresotic acid
  • p-Cresotinic acid
  • p-Homosalicylic acid
  • UNII-6GAI2MTV5V

Systematic Names

  • 2,5-Cresotic acid
  • 6-Hydroxy-m-toluic acid
  • Benzoic acid, 2-hydroxy-5-methyl-

Registry Numbers

CAS Registry Number

  • 89-56-5

FDA UNII

  • 6GAI2MTV5V

System Generated Number

  • 0000089565

Structure Descriptors

InChI

1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)

InChIKey

DLGBEGBHXSAQOC-UHFFFAOYSA-N

Smiles

Cc1ccc(c(c1)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
mouse LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: ANALGESIA Acta Pharmaceutica Suecica. Vol. 7, Pg. 289, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 151 deg C   EXP
pKa Dissociation Constant 3.15 (none) 25 EXP
log P (octanol-water) 2.78 (none)   EXP
Water Solubility 2.19E+04 mg/L 100 EXP
Vapor Pressure 5.14E-05 mm Hg 25 EST
Henry's Law Constant 1.57E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.59E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.