The Ethyl 3-methylphenylacetate, with the CAS registry number 40061-55-0, is also known as Ethyl m-tolylacetate. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; C10 to C11; Carbonyl Compounds and Esters. Its EINECS registry number is 254-778-3. This chemical's molecular formula is C₁₁H₁₄O₂ and molecular weight is 178.23. What's more, its IUPAC name is Ethyl 2-(3-methylphenyl)acetate and systematic name is called Ethyl (3-methylphenyl)acetate. It is clear colorless to slightly yellow liquid.

Physical properties about Ethyl 3-methylphenylacetate are: (1) ACD/LogP: 2.96; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.96; (4) ACD/LogD (pH 7.4): 2.96; (5) ACD/BCF (pH 5.5): 104.14; (6) ACD/BCF (pH 7.4): 104.14; (7) ACD/KOC (pH 5.5): 967.87; (8) ACD/KOC (pH 7.4): 967.87; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 26.3 Å²; (13) Index of Refraction: 1.502; (14) Molar Refractivity: 51.66 cm³; (15) Molar Volume: 175 cm³; (16) Surface Tension: 35 dyne/cm; (17) Density: 1.018 g/cm³; (18) Flash Point: 103.2 °C; (19) Enthalpy of Vaporization: 48.31 kJ/mol; (20) Boiling Point: 246 °C at 760 mmHg; (21) Vapour Pressure: 0.0279 mmHg at 25 °C.

Preparation of Ethyl 3-methylphenylacetate: this chemical is prepared by reaction of 1-Bromomethyl-3-methyl-benzene, Carbon monoxide with Aluminium-ethylate.



This reaction needs reagent Heptane and catalyzer 1,5-Hexadienrhodium(I)-chloride at temperature of 75 °C. The reaction time is 14 hours. The yield is 82%.

Uses of Ethyl 3-methylphenylacetate: it is used to produce other chemicals. For example, it is used to produce 3-Hydroxy-2-m-tolyl-acrylic acid ethyl ester.



The reaction occurs with reagent NaH and other condition of ambient temperature for 2.5 hours. The yield is 83%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and danger of very serious irreversible effects. Therefore, you should wear suitable gloves and eye/face protection and avoid contacting with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)Cc1cccc(c1)C
(2) InChI: InChI=1/C11H14O2/c1-3-13-11(12)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
(3) InChIKey: RVIWPVAVHHVQIR-UHFFFAOYAY