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Merck

C87657

Cumene

98%

Synonym(s):

(1-Methylethyl)benzene, 2-Phenylpropane, Isopropylbenzene, NSC 8776

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About This Item

Linear Formula:
C6H5CH(CH3)2
CAS Number:
98-82-8
Molecular Weight:
120.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893103
EC Number:
202-704-5
Beilstein/REAXYS Number:
1236613
MDL number:
MFCD00008881

Key Documents

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Product Name

Cumene, 98%

InChI key

RWGFKTVRMDUZSP-UHFFFAOYSA-N

InChI

1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

SMILES string

CC(C)c1ccccc1

vapor density

4.1 (vs air)

vapor pressure

8 mmHg ( 20 °C)
9.7 mmHg ( 37.7 °C)

assay

98%

form

liquid

autoignition temp.

797 °F

expl. lim.

6.5 %

refractive index

n20/D 1.491 (lit.)

bp

152-154 °C (lit.)

mp

−96 °C (lit.)

density

0.864 g/mL at 25 °C (lit.)

Quality Level

200

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Application

Cumene (Isopropylbenzene) can be used in the synthesis of:
  • Diisopropylbenzenes via disproportionation reaction by zeolite catalysts.
  • Cumene hydroperoxide, a key precursor for many organic fine chemicals.
  • 4-Nitro cumene using nitric acid/ MoO3/SiO2 as a catalyst.

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Carc. 1B - Flam. Liq. 3 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

87.8 °F - closed cup

flash_point_c

31.0 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN6125
BCCM3964
BCCL3203
BCCH6841
BCCH6344

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Cumene disproportionation over micro/mesoporous catalysts obtained by recrystallization of mordenite
Ordomsky VV, et al.
J. Catal., 295, 207-216 (2012)
Regioselective nitration of cumene to 4-nitro cumene using nitric acid over solid acid catalyst
Mathew SM, et al.
Catalysis Communications, 7(6), 394-398 (2006)
Alberto Thalison Silveira et al.
Environmental toxicology and pharmacology, 48, 191-196 (2016-11-07)
In the present study, we investigated the influence of diazepam (DZP) on the excretion of TOL by examining their urinary metabolites, hippuric acid (HA) and ortho-cresol (o-C). Male Wistar rats were exposed to TOL (20ppm) in a nose-only exposure chamber
Kinetics of acid-catalyzed cleavage of cumene hydroperoxide
Levin ME, et al.
Journal of Hazardous Materials, 130(1-2), 88-106 (2006)
Aneta Baj et al.
Antioxidants (Basel, Switzerland), 8(12) (2019-11-30)
Vitamin E is the most active natural lipophilic antioxidant with a broad spectrum of biological activity. α-Tocopherol (α-T), the main representative of the vitamin E family, is a strong inhibitor of lipid peroxidation as a chain-breaking antioxidant. Antioxidant and antiradical
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