Ethylbenzene
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Ethylbenzene
structure -
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CAS No:
100-41-4
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Formula:
C8H10
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Chemical Name:
Ethylbenzene
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Synonyms:
Benzene,ethyl-;Ethylbenzene;EB;Ethylbenzol;Phenylethane;α-Methyltoluene;NSC 406903;1-Ethylbenzene
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CAS No:
Description
Colorless liquid with an aromatic odor.
Ethylbenzene is an organic compound with the formula C6H5CH2CH3. It is a highly flammable, colorless liquid with an odor similar to that of gasoline. This monocyclic aromatic hydrocarbon is important in the petrochemical industry as an intermediate in the production of styrene, the precursor to polystyrene, a common plastic material. In 2012, more than 99% of ethylbenzene produced was consumed in the production of styrene. Ethylbenzene is also used to make other chemicals, in fuel, and as a solvent in inks, rubber adhesives, varnishes, and paints. Ethylbenzene exposure can be determined by testing for the breakdown products in urine.
Characteristics
0
3.1
Colorless Liquid
0.8670 g/cm3 @ Temp: 20 °C
-94.9 °C
136.1 °C
72 °F
1.497
H2O: 0.0206 g/100 mL
0-6°C
28.69 psi ( 55 °C)
3.7 (vs air)
Oral-Rat LD50: 3500 mg/kg; Abdominal cavity-mouse LD50: 2272 mg/kg
Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke
1.0-7.8%(V)
Aromatic odor
Safety Information
II
3
UN 1175 3/PG 2
1
63-11-20/22-36/38-40-48/20-65-20-48/20/22-38-22-39/23/24/25-23/24/25-2017/11/20
9-16-29-33-24/25-36/37-36-45-36/37/39-26-23-53-7-24-62
KI5775000
F+,Xn,Xi,F,T
The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids
Explosive when mixed with air
Stable. Incompatible with oxidizing agents. Flammable.
P260-P280-P304 + P340 + P312-P305 + P351 + P338-P403 + P233
H315-H319-H331-H351-H361d-H372
UN 1175
P201; P261; P280; P304 + P340 + P312; P308 + P313; P403 + P233
Toxicity
moderately toxic
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| SKIN/EYE IRRITATION DATA | Open irritation test | Administration onto the skin | Rodent - rabbit | 15 mg/24H | -- | American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 |
| SKIN/EYE IRRITATION DATA | Standard Draize test | Administration into the eye | Rodent - rabbit | 500 mg | -- | American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 |
| SKIN/EYE IRRITATION DATA | TCLo - Lowest published toxic concentration | Inhalation | Human | 100 ppm/8H | Sense Organs and Special Senses (Eye)--effect, not otherwise specified Behavioral--sleep Lungs, Thorax, or Respiration--other changes |
American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 31,206,1970 |
Ethylbenzene Use and Manufacturing
Industrially, ethylbenzene is obtained from the reaction of benzene and ethylene in the presence of a catalyst, and can also be separated from the C8 fraction of naphtha reformate. About 90% of ethylbenzene in industry is produced by benzene alkylation. 1. The liquid-phase alkylation method usually uses aluminum trichloride as a catalyst at normal pressure and 85-90°C to react ethylene with benzene to produce ethylbenzene. The side reaction is that ethylbenzene is further alkylated by ethylene to produce polyethylbenzene. In industry, the conversion rate of benzene is limited to 52-55% on the right, and a high benzene-ethylene molar ratio (generally around 2) is used to prevent the formation of more diethylbenzene and polyethylbenzene. The average yield of ethylbenzene is 94-96%. 2. The gas-phase alkylation method is initially ethylene and excess benzene under the action of phosphoric acid-diatomaceous earth on the alumina-silica gel catalyst, at 300 ℃, 4-6 MPa gas phase alkylation reaction to produce ethylbenzene . Since the catalyst used cannot dealkylate polyethylbenzene, polyethylbenzene cannot be processed. Although the production of polyethylbenzene is reduced by increasing the ratio of benzene, it increases the distillation cost of recycled benzene. 3. Aromatics prepared by catalytic reforming of ethylbenzene from C8 aromatics. After separation and removal of benzene and toluene, the boiling points of the components of the mixed xylene fraction are very close. The separation of ethylbenzene by rectification requires 300-400 trays with a reflux ratio of 75. In addition, ethylbenzene can also be obtained by adsorption separation and chromatographic separation. Because the separation of ethylbenzene from C8 aromatics is no longer economically competitive with benzene alkylated ethylbenzene, and a new generation of noble metal isomerization catalysts can effectively convert ethylbenzene to xylene, making the importance of ethylbenzene separation decline.
For conversion to styrene monomer; as resin solvent.
Computed Properties
Molecular Weight:106.16
XLogP3:3.1
Rotatable Bond Count:1
Exact Mass:106.078250319
Monoisotopic Mass:106.078250319
Heavy Atom Count:8
Complexity:51.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
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