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153613

Sigma-Aldrich

Pentamethylbenzene

98%

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About This Item

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

Assay

98%

form

solid

bp

231 °C (lit.)

mp

49-51 °C (lit.)

density

0.917 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

BEZDDPMMPIDMGJ-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

H228,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

195.8 °F - closed cup

Flash Point(C)

91 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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
Xinghui Qiu et al.
Journal of economic entomology, 96(4), 1283-1289 (2003-09-25)
Differences in the microsomal P450 monooxygenase system and its inducibility by pentamethylbenzene (PMB) and naphathalene (NA) were investigated in midgut and fatbody tissues of the cotton bollworm, Helicoverpa armigera (Boddie), larvae. Orthogonal array design was used to establish the optimal
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)
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
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