3-Methoxyphenylacetic acid

The 3-Methoxyphenylacetic acid, with the cas registry number 1798-09-0, is a kind of off-white solid and it is slightly soluble in water. And its product categories are various, including acids and derivatives; aromatic phenylacetic acids and derivatives; carboxylic acids; phenyls & phenyl-het; aromatics; carboxylic acids; phenyls & phenyl-het; c9; carbonyl compounds.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): 0.09; (3)ACD/LogD (pH 7.4): -1.68; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.57; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 44.04 cm³; (14)Molar Volume: 140.8 cm³; (15)Polarizability: 17.46 ×10^-24 cm³; (16)Surface Tension: 43.7 dyne/cm; (17)Density: 1.179 g/cm³; (18)Flash Point: 124.1 °C; (19)Enthalpy of Vaporization: 57.65 kJ/mol; (20)Boiling Point: 305.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000357 mmHg at 25°C; (22)Exact Mass: 166.062994; (23)MonoIsotopic Mass: 166.062994; (24)Topological Polar Surface Area: 46.5; (25)Heavy Atom Count: 12; (26)Complexity: 156.

Uses of 3-Methoxyphenylacetic acid: 3-Methoxyphenylacetic acid could react with ethanol to produce (3-methoxy-phenyl)-acetic acid ethyl ester. The reaction condition is below: reagent: conc.sulphuric acid; reaction time: 2.5 hours; reaction temp.: 80 ℃; other condition: heating.

Production method of 3-Methoxyphenylacetic acid: 3-methoxy-phenethyl alcohol could react to produce  3-Methoxyphenylacetic acid. The reaction condition is below: reagent:O2, Pb(OAc)2*3H2O, NaOH; catalytic agent: 5percent Pd/C; solution: H2O; reaction time: 3 hours; reaction temp.: 90 ℃; Pressure: 3800; field: 82.8%.

You should be cautious while dealing with this chemical. Being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. Therefore, you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=C(O)Cc1cc(OC)ccc1
(2)InChI:InChI=1/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
(3)InChIKey:LEGPZHPSIPPYIO-UHFFFAOYAY