Benzoic acid,2,6-dihydroxy-4-methyl- (480-67-1)

The 2,6-Dihydroxy-4-methylbenzoic acid, with the cas registry number 480-67-1, is also called 4-Methyl-2,6-dihydroxybenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids; Amides; Anilides; Anhydrides & Salts; Benzoic acid. And the molecular formula of the chemical is C₈H₈O₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.45; (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: 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: 188.5 °C; (20)Enthalpy of Vaporization: 64.44 kJ/mol; (21)Boiling Point: 364.6 °C at 760 mmHg; (22)Vapour Pressure: 5.9E-06 mmHg at 25°C.

Uses of 2,6-Dihydroxy-4-methylbenzoic acid: It can react with sulfuric acid dimethyl ester to produce 2,6-dimethoxy-4-methyl-benzoic acid methyl ester. This reaction will need reagent potassium carbonate, and the menstruum acetone. The reaction time is 24 hours with heating, and the yield is about 92%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1c(O)cc(cc1O)C
(2)InChI: InChI=1/C8H8O4/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,9-10H,1H3,(H,11,12)
(3)InChIKey: YBZAVRDNSPUMFK-UHFFFAOYAZ

The toxicity data is as follows: