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Merck
CN

36698

Supelco

Cumene

PESTANAL®

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
Beilstein:
1236613
EC Number:
202-704-5
MDL number:
MFCD00008881
UNSPSC Code:
41116107
PubChem Substance ID:
329755462
NACRES:
NA.24

Key Documents

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vapor density

4.1 (vs air)

Quality Level

100

vapor pressure

8 mmHg ( 20 °C)
9.7 mmHg ( 37.7 °C)

product line

PESTANAL®

autoignition temp.

797 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

6.5 %

technique(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.)

application(s)

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

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Statements

H226,H304,H335,H350,H411

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCG5700
BCBT9577

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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)
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)
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
Johanna Bråred Christensson et al.
Contact dermatitis, 55(4), 230-237 (2006-09-09)
Concomitant positive reactions to colophonium, oxidized limonene, and/or oxidized linalool are recorded in patch test studies. The main allergens in these patch test mixtures are hydroperoxides, which form antigens by a radical pathway. Theoretically, concomitant reactions can be explained not
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