3-(2-METHYLPHENYL)PROPIONIC ACID

The Benzenepropanoic acid,2-methyl-, with CAS registry number 22084-89-5, belongs to the following product categories: (1)C10; (2)Carbonyl Compounds; (3)Carboxylic Acids. It has the systematic name of 3-(2-methylphenyl)propanoic acid. And the chemical formula of this chemical is C₁₀H₁₂O₂.

Physical properties of Benzenepropanoic acid,2-methyl-: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 4.44; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 57.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 46.82 cm³; (15)Molar Volume: 149.6 cm³; (16)Polarizability: 18.56×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.097 g/cm³; (19)Flash Point: 190.5 °C; (20)Enthalpy of Vaporization: 56.28 kJ/mol; (21)Boiling Point: 293.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000792 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-cinnamic acid. This reaction will need reagents sodium amalgam, water.

Uses of Benzenepropanoic acid,2-methyl-: it can be used to produce 4-methyl-indan-1-one. This reaction will need reagent HF.

When you are using this chemical, please be cautious about it as the following:
The Benzenepropanoic acid,2-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)CCc1ccccc1C
(2)InChI: InChI=1/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
(3)InChIKey: JIRKNEAMPYVPTD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
(5)Std. InChIKey: JIRKNEAMPYVPTD-UHFFFAOYSA-N