6-Methoxysalicylic acid

The 6-Methoxysalicylic acid, with the CAS registry number 3147-64-6, has the systematic name of 2-hydroxy-6-methoxybenzoic acid. It belongs to the following procuct categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; Carboxylic Acids; Phenyls & Phenyl-Het. And the molecular formula of this chemical is C₈H₈O₄.

The physical properties of 6-Methoxysalicylic acid are as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.37; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 41.74 cm³; (15)Molar Volume: 124.3 cm³; (16)Polarizability: 16.54×10^-24_cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.351 g/cm³; (19)Flash Point: 138.7 °C; (20)Enthalpy of Vaporization: 60.49 kJ/mol; (21)Boiling Point: 330.4 °C at 760 mmHg; (22)Vapour Pressure: 6.66E-05 mmHg at 25°C.

Uses of 6-Methoxysalicylic acid: It can react with ethanol to produce 2-Methoxy-6-hydroxybenzoesaeureaethylester. This reaction will need reagent H₂SO₄. The reaction time is 100 hours with heating, and the yield is about 58%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(O)cccc1OC
(2)InChI: InChI=1/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11)
(3)InChIKey: AAUQLHHARJUJEH-UHFFFAOYAO