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Merck
CN

03079

Ethylbenzene

analytical standard

Synonym(s):

NSC 406903, Phenylethane

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About This Item

Linear Formula:
C6H5C2H5
CAS Number:
100-41-4
Molecular Weight:
106.17
NACRES:
NA.24
PubChem Substance ID:
329747548
eCl@ss:
39011201
UNSPSC Code:
41116107
EC Number:
202-849-4
MDL number:
MFCD00011647
Beilstein/REAXYS Number:
1901871

Key Documents

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Product Name

Ethylbenzene, analytical standard

InChI key

YNQLUTRBYVCPMQ-UHFFFAOYSA-N

InChI

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

SMILES string

CCc1ccccc1

grade

analytical standard

vapor density

3.7 (vs air)

vapor pressure

10 mmHg ( 20 °C)
19 mmHg ( 37.7 °C)

assay

≥99.5% (GC)

autoignition temp.

810 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

6.7 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.495 (lit.)
n20/D 1.495

bp

136 °C (lit.)

mp

−95 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

The analytical standard can also be used in the following:

  • Construction of a multi-bed needle-trap device for sample treatment of volatile organic compounds in indoor air samples collected from an office, corridor, and a laboratory, for their analysis by gas chromatography-flame ionization detector (GC-FID)
  • Development of a Carbotrap B sorbent-packed needle-trap device for the sampling of benzene, toluene, ethylbenzene, and xylene isomers from air samples for their analysis by gas chromatography-mass spectrometry (GC-MS)
  • Simultaneous detection and quantification of 14 volatile organic compounds (VOCs) from 283 flavored refill liquids, 21 nicotine refill liquids, and 12 cartridges of electronic cigarettes by headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS)
  • GC-MS detection of 11 VOCs following their extraction using a dynamic headspace needle-trap device (D-HS-NTD) having ZIF-8-derived nanoporous carbon (ZIF-8-NPC) as an adsorbent, from 20 pen ink samples
  • Determination of seven volatile organic compounds in the surgically resected colonic tissue samples of colorectal cancer patients by gas chromatography-mass spectrometry (GC-MS) following their extraction by headspace- and direct injection- based solid phase microextraction (SPME)

General description

Ethylbenzene is an aromatic hydrocarbon, commonly used in the manufacturing of styrene. Naturally found in coal tar and petroleum, it is also present in products, such as inks, insecticides, and paints.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

signalword

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

3 - Flammable liquids

wgk

WGK 1

flash_point_f

71.6 °F - closed cup

flash_point_c

22.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN8121
BCCL7483
BCCM3349
BCCJ3695
BCCG3854

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Eva Aguilera-Herrador et al.
Journal of chromatography. A, 1201(1), 106-111 (2008-07-01)
The direct coupling between ionic liquid-based single-drop microextraction and gas chromatography/mass spectrometry is proposed for the rapid and simple determination of benzene, toluene, ethylbenzene and xylenes isomers (BTEX) in water samples. The extraction procedure exploits not only the high affinity
Determination of benzene, toluene, ethylbenzene, and xylenes in urine by purge and trap gas chromatography
Brcic I and Skender L
Journal of Separation Science, 26(14), 1225-1229 (2003)
Equilibrium in-fibre standardisation technique for solid-phase microextraction.
Wang Y
Journal of Chromatography A, 1072(1), 13-17 (2005)
Jing-Fu Liu et al.
Journal of chromatography. A, 1066(1-2), 27-32 (2005-03-30)
Solid-phase microextraction (SPME) with a disposable ionic liquid (IL) coating was developed for headspace extraction of benzene, toluene, ethylbenzene, and xylenes (BTEX) in paints. The SPME fiber was coated with IL prior to every extraction, then the analytes were extracted
John M Kokosa et al.
Journal of chromatography. A, 983(1-2), 205-214 (2003-02-06)
The primary standard test method used for the determination of gasoline diluent in used engine oils is method D 3525-93 of the American Society for Testing and Materials (ASTM), which involves direct injection of used oil onto a packed GC
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