Benzeneacetic acid, 3,5-dimethyl- (42288-46-0)

The 3,5-Dimethylphenylacetic acid, with the CAS registry number 42288-46-0, is also known as Benzeneacetic acid, 3,5-dimethyl-. It belongs to the product category of Aromatic Phenylacetic Acids and Derivatives. This chemical's molecular formula is C₁₀H₁₂O₂ and molecular weight is 164.20. Its IUPAC name is called 2-(3,5-dimethylphenyl)acetate. This chemical is white to light beige crystalline powder.

Physical properties of 3,5-Dimethylphenylacetic acid: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 2.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.95; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 47.01 cm³; (14)Molar Volume: 149.4 cm³; (15)Surface Tension: 42.2 dyne/cm; (16)Density: 1.098 g/cm³; (17)Melting Point: 98-102 °C; (18)Flash Point: 188.1 °C; (19)Enthalpy of Vaporization: 56.01 kJ/mol; (20)Boiling Point: 291 °C at 760 mmHg; (21)Vapour Pressure: 0.000921 mmHg at 25°C.

Uses of 3,5-Dimethylphenylacetic acid: it can be used to produce (3,5-dimethyl-phenyl)-acetyl chloride. This reaction is a kind of chlorination. It will need reagent (COCl)₂ and solvent CH₂Cl₂.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. Whenever you will contact it, please wear suitable gloves and eye/face protection. After contact with skin, please wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1)CC(=O)[O-])C
(2)InChI: InChI=1S/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)/p-1
(3)InChIKey: HDNBKTWQBJJYPD-UHFFFAOYSA-M