Methyl 3-methoxysalicylate

This chemical is called Methyl 3-methoxysalicylate, and its systematic name is methyl 2-hydroxy-3-methoxybenzoate. With the molecular formula of C₉H₁₀O₄, its product categories are Acids and Derivatives; Alcohols and Derivatives; Aromatic Esters. The CAS registry number of this chemical is 6342-70-7. Additionally, this chemical should be sealed in the cool and dry place.

Other characteristics of the Methyl 3-methoxysalicylate can be summarised as followings: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.67; (6)ACD/BCF (pH 7.4): 16.6; (7)ACD/KOC (pH 5.5): 260.76; (8)ACD/KOC (pH 7.4): 259.64; (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^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 97.8 °C; (20)Enthalpy of Vaporization: 51.36 kJ/mol; (21)Boiling Point: 256.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00975 mmHg at 25°C.

Production method of this chemical: The Methyl 3-methoxysalicylate could be obtained by the reactants of methanol and 2-hydroxy-3-methoxy-benzoic acid. This reaction needs the reagent of sulfuric acid.

Uses of this chemical: The Methyl 3-methoxysalicylate could react with 3-bromo-propene, and obtain the 2-allyloxy-3-methoxy-benzoic acid methyl ester. This reaction needs the reagents of potassium carbonate, potassium iodide, methylethyl ketone.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. 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(OC)c1cccc(OC)c1O
2.InChI: InChI=1/C9H10O4/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5,10H,1-2H3
3.InChIKey: BWRCJLJJIXYLNV-UHFFFAOYAZ