Ethyl 2-methylbenzoate

The Benzoic acid,2-methyl-, ethyl ester is an organic compound with the formula C₁₀H₁₂O₂. The IUPAC name of this chemical is ethyl 2-methylbenzoate. With the CAS registry number 87-24-1, it is also named as o-Toluic acid, ethyl ester. The product's categories are Pharmaceutical Intermediates; Aromatic Esters; Organics; C10 to C11; Carbonyl Compounds; Esters. Besides, it is a clear slightly yellow liquid, which should be stored in a closed cool and dark place. It is used in organic synthesis intermediate.

Physical properties about Benzoic acid,2-methyl-, ethyl ester are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 155.74; (5)ACD/BCF (pH 7.4): 155.74; (6)ACD/KOC (pH 5.5): 1291.02; (7)ACD/KOC (pH 7.4): 1291.02; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 47.48 cm³; (13)Molar Volume: 160.1 cm³; (14)Polarizability: 18.82×10^-24cm³; (15)Surface Tension: 35 dyne/cm; (16)Density: 1.025 g/cm³; (17)Flash Point: 91.7 °C; (18)Enthalpy of Vaporization: 46.36 kJ/mol; (19)Boiling Point: 227 °C at 760 mmHg; (20)Vapour Pressure: 0.0794 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-benzoic acid and ethanol. This reaction will need reagent benzene and sulfuric acid.

Uses of Benzoic acid,2-methyl-, ethyl ester: it can be used to produce 2-bromomethyl-benzoic acid ethyl ester. It will need reagent N-bromosuccinimide.

When you are using this chemical, please be cautious about it as the following:
This chemical is risk of serious damage to eyes. When you are using it, wear 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(OCC)c1ccccc1C
(2)InChI: InChI=1/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
(3)InChIKey: SOUAXOGPALPTTC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
(5)Std. InChIKey: SOUAXOGPALPTTC-UHFFFAOYSA-N