C87657

Sigma-Aldrich

Cumene

98%

Synonym(s):
2-Phenylpropane, (1-Methylethyl)benzene, Isopropylbenzene, NSC 8776
Linear Formula:
C6H5CH(CH3)2
CAS Number:
Molecular Weight:
120.19
Beilstein/REAXYS Number:
1236613
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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.)

SMILES string

CC(C)c1ccccc1

InChI

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

InChI key

RWGFKTVRMDUZSP-UHFFFAOYSA-N

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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.

Packaging

1, 4 L in glass bottle

Signal Word

Danger

Hazard Statements

hazcat

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

Target Organs

Respiratory system

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 1

Flash Point(F)

87.8 °F - closed cup

Flash Point(C)

31.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

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)
Cumene disproportionation over micro/mesoporous catalysts obtained by recrystallization of mordenite
Ordomsky VV, et al.
J. Catal., 295, 207-216 (2012)
Kinetics of acid-catalyzed cleavage of cumene hydroperoxide
Levin ME, et al.
Journal of Hazardous Materials, 130(1-2), 88-106 (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...
A Getsoian et al.
International journal of pharmaceutics, 348(1-2), 3-9 (2007-10-20)
To emphasize the fact that solvents can be either critical or immaterial in crystallizing specific polymorphs, a method for obtaining multiple polymorphs of a compound using only one solvent is demonstrated. By varying the crystallization temperature and level of supersaturation...

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