2,5-Dimethylphenylacetic acid

The Benzeneacetic acid,2,5-dimethyl- is an organic compound with the formula C₁₀H₁₂O₂. The IUPAC name of this chemical is 2-(2,5-dimethylphenyl)acetic acid. With the CAS registry number 136132-76-8, it is also named as 2,5-xylylacetic acid. The product's category is Aromatic Phenylacetic Acids and Derivatives. Besides, it is a light beige crystalline powder, which should be stored in a closed cool and well-ventilated place.

Physical properties about Benzeneacetic acid,2,5-dimethyl- are: (1)ACD/LogP: 2.43; (2)ACD/LogD (pH 5.5): 1.21; (3)ACD/LogD (pH 7.4): -0.58; (4)ACD/BCF (pH 5.5): 2.48; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.05; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 47.01 cm³; (14)Molar Volume: 149.4 cm³; (15)Polarizability: 18.63×10^-24cm³; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.098 g/cm³; (18)Flash Point: 190.5 °C; (19)Enthalpy of Vaporization: 56.28 kJ/mol; (20)Boiling Point: 293.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000789 mmHg at 25°C.

Preparation: this chemical can be prepared by (2,5-dimethyl-phenyl)-phenylselanyl-acetic acid ethyl ester. This reaction will need reagent NaBH₄, aq. NaOH, catalyst bis(2-thienyl) ditelluride and solvent ethanol. The reaction time is 2 min at ambient temperature. The yield is about 80%.

Uses of Benzeneacetic acid,2,5-dimethyl-: it can be used to produce 3-[b-(2',5'-dimethylphenylacetamido)ethyl]indole at temperature of 190 - 215 °C. The yield is about 49%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact 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)Cc1cc(ccc1C)C
(2)InChI: InChI=1/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(3)InChIKey: RUSCTNYOPQOXDJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(5)Std. InChIKey: RUSCTNYOPQOXDJ-UHFFFAOYSA-N