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296848

Sigma-Aldrich

Ethylbenzene

anhydrous, 99.8%

Synonym(s):

NSC 406903, Phenylethane

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About This Item

Linear Formula:
C6H5C2H5
CAS Number:
100-41-4
Molecular Weight:
106.17
Beilstein:
1901871
EC Number:
202-849-4
MDL number:
MFCD00011647
UNSPSC Code:
12352002
eCl@ss:
39011201
PubChem Substance ID:
57648393
NACRES:
NA.06
grade:
anhydrous
bp:
136 °C (lit.)
vapor pressure:
10 mmHg ( 20 °C)
19 mmHg ( 37.7 °C)
Pricing and availability is not currently available.

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.[1]
  • Styrene via dehydrogenation over nanodiamonds in an oxygen-lean environment.[2]

Signal Word

Danger

Hazard Statements

H225,H304,H332,H373,H412

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR5817
SHBS0405
SHBS2465
SHBR0179
SHBQ2408

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Selective and Stable Ethylbenzene Dehydrogenation to Styrene over Nanodiamonds under Oxygen?lean Conditions
Diao J, et al.
ChemSusChem, 9(7), 662-666 (2016)
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)
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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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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