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Sigma-Aldrich

Ethylbenzene

anhydrous, 99.8%

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Synonym(s):
NSC 406903, Phenylethane
Linear Formula:
C6H5C2H5
CAS Number:
100-41-4
Molecular Weight:
106.17
Beilstein:
1901871
EC Number:
202-849-4
MDL number:
MFCD00011647
eCl@ss:
39011201
PubChem Substance ID:
57648393

grade

anhydrous

Quality Level

100

vapor density

3.7 (vs air)

vapor pressure

10 mmHg ( 20 °C)
19 mmHg ( 37.7 °C)

Assay

99.8%

form

liquid

autoignition temp.

810 °F

expl. lim.

6.7 %

impurities

<0.002% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0005%

refractive index

n20/D 1.495 (lit.)

bp

136 °C (lit.)

mp

−95 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

SMILES string

CCc1ccccc1

InChI

1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI key

YNQLUTRBYVCPMQ-UHFFFAOYSA-N

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Application

Ethylbenzene may be used as a starting material to synthesize:
  • Acetophenone via selection oxidation in the presence of potassium dichromate supported on neutral alumina and using air as the oxidizing agent.
  • Styrene via dehydrogenation over nanodiamonds in an oxygen-lean environment.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - STOT RE 2

Target Organs

hearing organs

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

71.6 °F - closed cup

Flash Point(C)

22.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Hongyang Liu et al.
Chemical communications (Cambridge, England), 50(58), 7810-7812 (2014-06-07)
A novel nanodiamond/CNT-SiC monolith catalyst has been prepared by a facile two-step approach. The as-synthesized monolith afforded high activity and stability for ethylbenzene direct dehydrogenation to styrene, showing its potential application as a metal free catalyst in gaseous catalytic reactions.
Preparation and Characterization of MCM-41@ PEI? Mn as a New Organic-Inorganic Hybrid Nanomaterial and Study of its Catalytic Role in the Oxidation of Cyclohexene, Ethyl Benzene, and Toluene in the Presence of H2O2 as an Oxidant.
Tarasi R, et al.
Bull. Korean Chem. Soc., 37(4), 529-537 (2016)
Selective and Stable Ethylbenzene Dehydrogenation to Styrene over Nanodiamonds under Oxygen?lean Conditions
Diao J, et al.
ChemSusChem, 9(7), 662-666 (2016)
Catalytic oxidation of ethylbenzene to acetophenone using alumina-supported dichromate: Process optimisation and development of a continuous process.
Chisem IC, et al.
Organic Process Research & Development, 1(5), 365-369 (1997)
Silvia L Cruz et al.
Neurotoxicology, 57, 121-127 (2016-11-05)
Several organic solvents have anticonvulsant or convulsant actions depending on the dose and exposure time. To study if there is a structure-activity relationship for organic solvents as anticonvulsant agents we subjected independent groups of mice to a single 30-min exposure
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