2-Methoxy-3-methylbenzoic acid

The CAS register number of 2-Methoxy-3-methylbenzoic acid is 26507-91-5. It also can be called as 3-Methyl-o-anisic acid. The molecular formula about this chemical is C₉H₁₀O₃ and the molecular weight is 166.17. It belongs to the following product categories which include Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Methoxy-3-methylbenzoic acid are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 0.6; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12.29; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 44.68 cm³; (13)Molar Volume: 142.2 cm³; (14)Polarizability: 17.71x10^-24cm³; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.168 g/cm³; (17)Flash Point: 114.9 °C; (18)Enthalpy of Vaporization: 55.55 kJ/mol; (19)Boiling Point: 286.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0012 mmHg at 25 °C.

Uses of 2-Methoxy-3-methylbenzoic acid: it can be used to produce 2-methoxy-3-methyl-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3b-yl)benzamide with 2b-amino-9-benzyl-9-azabicyclo[3.3.1]nonane. This reaction will need reagents of ethyl chloroformate, Et₃N and solvent of CH₂Cl₂. This reaction needs two steps. The reaction time is 45 mins and 2 hours with reaction temperature of 0 and 20 °C. The yield is about 59.6%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccc(c1OC)C
(2)InChI: InChI=1/C9H10O3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: KISMEIDIHLMTCQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H10O3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3,(H,10,11)
(5)Std. InChIKey: KISMEIDIHLMTCQ-UHFFFAOYSA-N