Ethylbenzene (100-41-4)

The IUPAC name of this chemical is ethylbenzene. With the CAS registry number 100-41-4, it is also named as Aethylbenzol. The product's categories are Pharmaceutical Intermediates; Organics; Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Amber Glass Bottles; ReagentPlus(R) Solvent Grade Products; Solvent Bottles; E-FAlphabetic. It is colourless liquid with an aromatic odor, which can react vigorously with strong oxidizing materials. It is toxic and flammable by fire, heat and oxidants. So the storage environment should be ventilate, low-temperature and dry. Keep Ethyl benzene separate from oxidant and acid. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.229; (4)ACD/LogD (pH 7.4): 3.229; (5)ACD/BCF (pH 5.5): 167.574; (6)ACD/BCF (pH 7.4): 167.574; (7)ACD/KOC (pH 5.5): 1360.491; (8)ACD/KOC (pH 7.4): 1360.491; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 35.802 cm³; (14)Molar Volume: 122.251 cm³; (15)Polarizability: 14.193×10^-24 cm³; (16)Surface Tension: 29.072 dyne/cm; (17)Enthalpy of Vaporization: 35.57 kJ/mol; (18)Vapour Pressure: 9.213 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 106.07825; (21)MonoIsotopic Mass: 106.07825; (22)Heavy Atom Count: 8; (23)Complexity: 51.1.

Preparation of Ethyl benzene: It is manufactured from benzene and ethylene by several modifications of the older mixed liquid-gas reaction system using aluminum chloride as a catalyst (Friedel-Crafts reaction). The reaction takes place in the gas phase over a fixed-bed unit at 370 °C under apressure of 1450 to 2850 kPa. Unchanged and polyethylated materials are recirculated, making a yield of 98 percent possible. The catalyst dperates several days before requiring regeneration.
 C₆H₆ + CH₂=CH₂ (+AlCl₃/HCl or zeolite) → C₆H₅CH₂CH₃(+AlCl₃/HCl or zeolite)
Excess benzene is used if the formation of di- and trimethylbenzenes is to be avoided or minimized. The benzene is recycled. In the more modem process the reaction takes place in the liquid phase, using a zeolite catalyst and cycle lengths in excess of 3 years are expected for the catalyst.

Uses of Ethyl benzene: It is important in the petrochemical industry as an intermediate in the production of styrene, which in turn is used for making polystyrene, a commonly used plastic material. It is also used as a solvent for aluminum bromide in the anhydrous electrodeposition of aluminum. In addition, it is used as intermediate syntomycin and chloramphenicol. Besides, it can react with tert-butyl hydroperoxide to get 1-phenylethyl tert-butyl peroxide and 1-phenyl-ethanone. This reaction needs catalyzer vanadium-substituted V-MCM-41 (A) zeolite and solvent acetone at temperature of 60 °C. The reaction time is 8 hours. 

When you are using this chemical, please be cautious about it as the following:
It is extremely flammable, so people should keep it away from sources of ignition. And it may form explosive peroxides. In addition, this chemical is not only harmful if swallowed, but also toxic by inhalation, in contact with skin and if swallowed. So people should avoid contact with skin and eyes. Besides, it may cause cancer and may cause heritable genetic damage. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 

People can use the following data to convert to the molecule structure.
1. SMILES:CCc1ccccc1
2. InChI:InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

The following are the toxicity data which has been tested.

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Community Right-To-Know List.