(2,5-Dimethoxyphenyl)acetic acid

The Benzeneacetic acid,2,5-dimethoxy-, with the CAS registry number 1758-25-4, is also known as 2,5-Dimethoxybenzeneacetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; C₁₀; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 217-151-5. This chemical's molecular formula is C₁₀H₁₂O₄ and formula weight is 196.20. What's more, its IUPAC name is 2-(2,5-dimethoxyphenyl)acetic acid. 

Physical properties of Benzeneacetic acid,2,5-dimethoxy- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.48; (8)ACD/KOC (pH 7.4): 1; (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: 1.527; (14)Molar Refractivity: 50.72 cm³; (15)Molar Volume: 164.8 cm³; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.189 g/cm³; (18)Flash Point: 134.8 °C; (19)Enthalpy of Vaporization: 61.73 kJ/mol; (20)Boiling Point: 341.2 °C at 760 mmHg; (21)Vapour Pressure: 3.15E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by (2,5-dimethoxy-phenyl)-acetic acid ethyl ester. This reaction will need reagent NaOH and solvent dioxane, H₂O. The yield is about 98%.

Uses of Benzeneacetic acid,2,5-dimethoxy-: it can be used to produce (4-bromo-2,5-dimethoxy-phenyl)-acetic acid. It will need reagent Br₂ and solvent acetic acid with the reaction time of 2 hours. The reaction temperature is 25°C. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. You should not breathe dust. You should avoid contact with skin and eyes. Besides you must wear suitable protective clothing and gloves and take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)OC)CC(=O)O
(2)InChI: InChI=1S/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(3)InChIKey: BBZDYQUXRFATHZ-UHFFFAOYSA-N