3,5-Dihydroxy-4-methylbenzoic acid

The IUPAC name of 3,5-Dihydroxy-4-methylbenzoic acid is 3,5-dihydroxy-4-methylbenzoic acid. With the CAS registry number 28026-96-2, it is also named as 4-Methyl-3,5-dihydroxybenzoic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Organic Acids; Acids & Esters; Phenols. Besides, it is a solid, which should be stored in tightly sealed containers in a cool, dry place. In addition, its molecular formula is C₈H₈O₄ and molecular weight is 168.15.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 41.77 cm³; (15)Molar Volume: 115 cm³; (16)Polarizability: 16.55×10^-24cm³; (17)Surface Tension: 73.5 dyne/cm; (18)Density: 1.46 g/cm³; (19)Flash Point: 223.3 °C; (20)Melting Point: 267-268 °C; (21)Enthalpy of Vaporization: 71.3 kJ/mol; (22)Boiling Point: 422.2 °C at 760 mmHg; (23)Vapour Pressure: 6.99E-08 mmHg at 25 °C.

Preparation of 3,5-Dihydroxy-4-methylbenzoic acid: this chemical can be prepared by 4-methyl-3,5-disulfo-benzoic acid.



This reaction needs KOH, NaOH, water, conc. HCl at temperature of 140 °C. The reaction time is 0.5 hour. The yield is 40 %.

Uses of 3,5-Dihydroxy-4-methylbenzoic acid: it can react with sulfuric acid dimethyl ester to get 3,5-dimethoxy-4-methyl-benzoic acid methyl ester.



This reaction needs K₂CO₃ and acetone by heating for 18 hours. The yield is 95 %.

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

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1=C(C=C(C=C1O)C(=O)O)O
(2)InChI: InChI=1S/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12)
(3)InChIKey: KMRRXSZDSGYLCD-UHFFFAOYSA-N