METHYL 5-METHOXYSALICYLATE

The Benzoicacid, 2-hydroxy-5-methoxy-, methyl ester, with the CAS registry number 2905-82-0, is also known as Methyl 5-methoxy-2-hydroxybenzoate. This chemical's molecular formula is C₉H₁₀O₄ and molecular weight is 182.17. What's more, its systematic name is Methyl 2-hydroxy-5-methoxybenzoate and it belongs to the product categories of Acids and Derivatives; Alcohols and Derivatives; Aromatic Esters. The product should be sealed and stored in cool and dry places.

Physical properties of Benzoicacid, 2-hydroxy-5-methoxy-, methyl ester are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.66; (6)ACD/BCF (pH 7.4): 20.63; (7)ACD/KOC (pH 5.5): 304.06; (8)ACD/KOC (pH 7.4): 303.63; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 46.58 cm³; (15)Molar Volume: 149.7 cm³; (16)Polarizability: 18.46×10^-24 cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 109.8 °C; (20)Enthalpy of Vaporization: 53.98 kJ/mol; (21)Boiling Point: 280.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00225 mmHg at 25°C.

Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and 2,5-dihydroxy-benzoic acid methyl ester. This reaction will need reagent K₂CO₃ and solvent acetone with the reaction time of 10 hours. The yield is about 70%.

Uses of Benzoicacid, 2-hydroxy-5-methoxy-, methyl ester: it can be used to produce 3-chloro-2-hydroxy-5-methoxy-benzoic acid methyl ester at the ambient temperature. It will need reagent N-chlorosuccinimide and solvent dimethylformamide with the reaction time of 2.5 hours. The yield is about 74%.

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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(OC)ccc1O
(2)InChI: InChI=1/C9H10O4/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5,10H,1-2H3
(3)InChIKey: DFNBGZODMHWKKK-UHFFFAOYSA-N