Benzeneacetic acid,4-methyl-

The Benzeneacetic acid,4-methyl-, with the CAS registry number 622-47-9, is also known as p-Methylphenylacetic acid. It belongs to Aromatic Phenylacetic Acids and Derivatives. Its EINECS number is 210-738-7. This chemical's molecular formula is C₉H₁₀O₂ and molecular weight is 150.17. What's more, its IUPAC name is called 2-(4-methylphenyl)acetic acid.

Physical properties of Benzeneacetic acid,4-methyl- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/BCF (pH 5.5): 1.33; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.21; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Ų; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 42.19 cm³; (14)Molar Volume: 133.1 cm³; (15)Surface Tension: 44.1 dyne/cm; (16)Density: 1.127 g/cm³; (17)Flash Point: 173.5 °C; (18)Enthalpy of Vaporization: 53.24 kJ/mol; (19)Boiling Point: 266 °C at 760 mmHg; (20)Vapour Pressure: 0.00442 mmHg at 25°C.

Preparation: this chemical can be prepared by p-tolyl-acetonitrile. This reaction will need reagent potassium phosphate buffer with the reaction temperature 30°C. The reaction time is 19 hours. The yield is about 82.6%.

Uses of Benzeneacetic acid,4-methyl-: it can be used to produce p-tolyl-acetic acid ethyl ester. It will need reagent sulfuric acid. The reaction time is 5 hours by heating. The yield is about 83%.

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 and avoid contact with skin and eyes.
 
You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CC=C(C=C1)CC(=O)O
(2)InChI: InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
(3)InChIKey: GXXXUZIRGXYDFP-UHFFFAOYSA-N

The toxicity data is as follows: