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Merck
CN

153613

Pentamethylbenzene

98%

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About This Item

Linear Formula:
C6H(CH3)5
CAS Number:
700-12-9
Molecular Weight:
148.24
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849359
EC Number:
211-837-8
Beilstein/REAXYS Number:
1905349
MDL number:
MFCD00008522

Key Documents

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Product Name

Pentamethylbenzene, 98%

InChI key

BEZDDPMMPIDMGJ-UHFFFAOYSA-N

InChI

1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3

SMILES string

Cc1cc(C)c(C)c(C)c1C

assay

98%

form

solid

bp

231 °C (lit.)

mp

49-51 °C (lit.)

density

0.917 g/mL at 25 °C (lit.)

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Application

Pentamethylbenzene was used to prepare a mixture of nitropentamethylbenzene and 2,3,4,5-tetramethylbenzyl nitrate. It was also used to prepare propene.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

4.1B - Flammable solid hazardous materials

wgk

WGK 3

flash_point_f

195.8 °F - closed cup

flash_point_c

91 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ7398
MKCW7352
WXBD5648V
WXBD2606V
WXBC8699V

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B J Cochrane et al.
Biochemical pharmacology, 35(10), 1679-1684 (1986-05-15)
The enzyme glutathione-S-transferase, which plays a crucial role in xenobiotic detoxification, was investigated in Drosophila melanogaster. Based upon examination of substrate specificities and pH optima, it was observed that the enzyme in Drosophila is considerably more restricted in its activities
Anomalous Products Obtained by Nitration of Pentamethylbenzene, Pentaethylbenzene, and Some Mixed Penta-alkylbenzenes.
Suzuki H and Nakamura K.
Bulletin of the Chemical Society of Japan, 43(2), 473-473 (1970)
Danielle Brown et al.
Archives of insect biochemistry and physiology, 53(3), 119-124 (2003-06-18)
The cytochrome P450 monooxygenases are an important metabolic system whose level of activity can be influenced by several dietary constituents. We examined the effects of six known P450 inducers on the levels of total cytochromes P450, cytochrome b(5), and six
Induction of hepatic microsomal cytochrome P-450 and associated monooxygenases by pentamethylbenzene in the rat.
M S Denison et al.
Biochemical pharmacology, 32(17), 2610-2611 (1983-09-01)
Yingxin Sun et al.
Journal of molecular modeling, 19(12), 5407-5422 (2013-11-07)
Two-layer ONIOM calculations have been carried out to study methanol to propene (MTP) conversion reactions catalyzed by H-beta zeolite. On the basis of the so-called side-chain hydrocarbon pool (HCP) mechanism, this work proposes the complete catalytic cycle pathway for the
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