36698

Supelco

Cumene

PESTANAL®

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.24

Quality Level

vapor density

4.1 (vs air)

vapor pressure

8 mmHg ( 20 °C)
9.7 mmHg ( 37.7 °C)

product line

PESTANAL®

form

neat

autoignition temp.

797 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

6.5 %

application(s)

HPLC: suitable
gas chromatography (GC): suitable

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.)

Featured Industry

Agriculture
Environmental

format

neat

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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General description

Cumene is an organic compound obtained, in the process of acid-catalyzed alkylation of benzene with propylene.

Application

Cumene may be used as a reference standard for the determination of cumene in water samples by gas chromatography-mass spectrometry method (GC-MS). Cumene may be used as an analytical reference standard for the quantification of the analyte in environmental samples using gas chromatography technique.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Cumene may be used as a reference standard for the determination of cumene in water samples by gas chromatography-mass spectrometry method (GC-MS).

Legal Information

PESTANAL is a registered trademark of Sigma-Aldrich International GmbH

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

Use of solid-phase extraction in the determination of benzene, toluene, ethylbenzene, xylene and cumene in spiked soil and investigation of soil spiking methods
Meney.MK, et al.
Analyst, 123(2), 195-2000 (1998)
Determination of toxic toluene, xylene and cumene in different lake waters.
Amzad H M, et al.
International Journal of Environmental Research, 4(2), 341-346 (2010)
Toxicity assessment of atrazine and related triazine compounds in the microtox assay, and computational modeling for their structure-activity relationship
Tchounwou.BP, et al.
International Journal of Molecular Sciences, 1(4), 63-74 (2000)
Mathieu Frenette et al.
Journal of the American Chemical Society, 128(51), 16432-16433 (2006-12-21)
A new class of thermally activated chain-breaking antioxidants is presented. Dimers of persistent carbon-centered radicals are able to inhibit the autoxidation of cumene and styrene with better rate constants than the commercial antioxidant Irganox HP-136 and 3,5-di-tert-butyl-4-hydroxyanisole. A dramatic increase...
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...
Articles
Butyl methyl ether; Acetic acid; 2-Butanone; Ethyl acetate; Tetrahydrofuran; 1-Butanol; Isopropyl acetate; Heptane; Propyl acetate; 3-Methylbutanol; 4-Methyl-2-pentanone; Isobutyl acetate; Butyl acetate; Dimethyl sulfoxide; Anisole; Cumene
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