ETHYL P-TOLYLACETATE

The Benzeneacetic acid,4-methyl-, ethyl ester, with the CAS registry number 14062-19-2, is also known as Ethyl p-methylphenylacetate. It belongs to Benzene derivatives; Aromatic Esters; C₁₀ to C₁₁; Carbonyl Compounds; Esters. Its EINECS number is 237-904-1. This chemical's molecular formula is C₁₁H₁₄O₂  and molecular weight is 178.23. What's more, its IUPAC name is called ethyl 2-(4-methylphenyl)acetate.
 
Physical properties of  Benzeneacetic acid,4-methyl-, ethyl ester 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 Ų; (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: 103.6 °C; (19)Enthalpy of Vaporization: 47.7 kJ/mol; (20)Boiling Point: 240.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0387 mmHg at 25°C.

Preparation: this chemical can be prepared by p-tolyl-acetic acid and ethanol. This reaction will need reagent sulfuric acid. The reaction time is 5 hours by heating. The yield is about 83%.

Uses of Benzeneacetic acid,4-methyl-, ethyl ester: it can be used to produce 3-hydroxy-2-p-tolyl-acrylic acid ethyl ester. It will need reagent NaH (80% suspension). The reaction time is 2.5 hours at the ambient temperature. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing.
 
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)CC1=CC=C(C=C1)C
(2)InChI: InChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
(3)InChIKey: BTRGZBIXPLFVNK-UHFFFAOYSA-N