Product Name

  • Name

    4-Methylsalicylic acid

  • EINECS 200-068-3
  • CAS No. 50-85-1
  • Article Data60
  • CAS DataBase
  • Density 1.304 g/cm3
  • Solubility Soluble in water 10 g/L @ 20℃.
  • Melting Point 173-177 °C(lit.)
  • Formula C8H8O3
  • Boiling Point 315.2 °C at 760 mmHg
  • Molecular Weight 152.15
  • Flash Point 158.6 °C
  • Transport Information
  • Appearance white to greyish-beige powder
  • Safety 26-37/39
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 50-85-1 (4-Methylsalicylic acid)
  • Hazard Symbols HarmfulXn, IrritantXi
  • Synonyms 2,4-Cresoticacid (8CI);2-Hydroxy-4-methylbenzoic acid;2-Hydroxy-p-toluic acid;4-Methyl-2-hydroxybenzoic acid;NSC 16634;m-Cresoticacid;m-Cresotinic acid;m-Homosalicylic acid;p-Methylsalicylic acid;g-Cresoticacid;
  • PSA 57.53000
  • LogP 1.39880

4-Methylsalicylic Acid Specification

The IUPAC name of 4-Methylsalicylic Acid is 2-hydroxy-4-methylbenzoic acid. With the CAS registry number 50-85-1, it is also named as 2-Hydroxy-p-toluic acid; gamma-Cresotic acid. The product's categories are aromatic carboxylic acids, amides and anilides, anhydrides & salts. It is white to greyish-beige powder.  

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 39.88 cm3; (14)Molar Volume: 116.6 cm3; (15)Polarizability: 15.81×10-24 cm3; (16)Surface Tension: 58 dyne/cm; (17)Enthalpy of Vaporization: 58.75 kJ/mol; (18)Vapour Pressure: 0.000188 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 12; (21)Exact Mass: 152.047344; (22)MonoIsotopic Mass: 152.047344; (23)Topological Polar Surface Area: 57.5; (24)Heavy Atom Count: 11.
 
Uses of 4-Methylsalicylic Acid: 1.It reacts with methanol to get 2-hydroxy-4-methyl-benzoic acid methyl ester. This reaction needs reagent H2SO4 at temperature of 70 °C.



2.It also reacts with 2-hydroxyamino-phenol to obtain 2-benzooxazol-2-yl-5-methyl-phenol. This reaction needs reagent polyphosphoric acid at temperature of 150-180 °C. The reaction time is 8 hours. The yield is 27%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(O)c1ccc(cc1O)C;
2. InChI: InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11).

The following is the toxicity data which has been tested. 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1800mg/kg (1800mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 289, 1970.

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