2,3,4-TRIMETHOXYPHENYLACETIC ACID

The Benzeneacetic acid,2,3,4-trimethoxy-, with the CAS registry number 22480-91-7 and EINECS registry number 245-024-4, has the systematic name of (2,3,4-trimethoxyphenyl)acetic acid. And the molecular formula of this chemical is C₁₁H₁₄O₅. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives.

The physical properties of Benzeneacetic acid,2,3,4-trimethoxy- are as following: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -2.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 57.4 cm³; (15)Molar Volume: 188.8 cm³; (16)Polarizability: 22.75×10^-24cm³; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 132.6 °C; (20)Enthalpy of Vaporization: 62.63 kJ/mol; (21)Boiling Point: 349 °C at 760 mmHg; (22)Vapour Pressure: 1.81E-05 mmHg at 25°C.

Uses of Benzeneacetic acid,2,3,4-trimethoxy-: It can react with 3,4-dimethoxy-phenethylamine to produce N-3,4-dimethoxyphenylethyl-2,3,4-trimethoxyphenylacetamide. This reaction will need solvent xylene with heating. And the yield is about 96%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, 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)Cc1c(OC)c(OC)c(OC)cc1
(2)InChI: InChI=1/C11H14O5/c1-14-8-5-4-7(6-9(12)13)10(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)
(3)InChIKey: ZMWCKCLDAQWIDA-UHFFFAOYAN