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Merck
CN

36698

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

Key Documents

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Product Name

Cumene, PESTANAL®

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)

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

Quality Level

100

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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.

General description

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

Legal Information

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

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 1

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

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)
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)
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)
Sibylle Schliemann et al.
Contact dermatitis, 63(6), 347-356 (2010-11-03)
Skin exposure to lipophilic irritants at workplaces is a risk factor for the development of occupational irritant hand dermatitis. Suitable lipophilic model irritants to be used in repeated irritation studies in volunteers are needed to gain a better understanding of
Sibylle Schliemann et al.
Contact dermatitis, 65(2), 107-114 (2011-06-23)
Neurosensory irritation is a subjective phenomenon induced by a number of chemicals. Objectives. To investigate the sensory irritation induced by two organic solvents - n-octane and cumene - between two groups of volunteers, stingers and non-stingers, identified as such according
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