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Pentamethylbenzene

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Pentamethylbenzene Basic information

Product Name:
Pentamethylbenzene
Synonyms:
  • Benzene, 1,2,3,4,5-pentamethyl-
  • benzene,pentamethyl-
  • pentamethyl-benzen
  • Pentmethyl Benzene
  • Pentamethylbenzene~95%
  • 1,2,3,4,5-PENTAMETHYLBENZENE
  • Pentamethyl phenyl
  • PENTAMETHYLBENZENE
CAS:
700-12-9
MF:
C11H16
MW:
148.24
EINECS:
211-837-8
Product Categories:
  • Building Blocks
  • Chemical Synthesis
  • Arenes
  • Building Blocks
  • Organic Building Blocks
  • Organic Building Blocks
Mol File:
700-12-9.mol
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Pentamethylbenzene Chemical Properties

Melting point:
49-51 °C (lit.)
Boiling point:
231 °C (lit.)
Density 
0.917 g/mL at 25 °C (lit.)
refractive index 
1.5270
Flash point:
196 °F
storage temp. 
Sealed in dry,Room Temperature
form 
powder to crystal
color 
White to Almost white
Water Solubility 
15.52mg/L(temperature not stated)
BRN 
1905349
CAS DataBase Reference
700-12-9(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, pentamethyl-(700-12-9)
EPA Substance Registry System
Benzene, pentamethyl- (700-12-9)
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Safety Information

Hazard Codes 
F,Xi
Risk Statements 
11-36/37/38
Safety Statements 
16-26-36
RIDADR 
UN 1325 4.1/PG 2
WGK Germany 
3
TSCA 
Yes
HazardClass 
4.1
PackingGroup 
III
HS Code 
29029090

MSDS

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Pentamethylbenzene Usage And Synthesis

Chemical Properties

Pentamethylbenzene is a white to light yellow crystalline powder with a sweet odor. The compound is classified as an aromatic hydrocarbon. It is a relatively easily oxidized benzene derivative, with E1/2 of 1.95 V vs NHE.

Uses

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

Definition

ChEBI: Pentamethylbenzene is a methylbenzene that is benzene in which five of the hydrogens are replaced by methyl groups.

Synthesis Reference(s)

Synthesis, p. 979, 1985 DOI: 10.1055/s-1985-31413

Synthesis

Pentamethylbenzene is obtained as a minor product in the Friedel–Crafts methylation of xylene to durene (1,2,4,5-tetramethylbenzene). Like durene, pentamethylbenzene is rather electron-rich and undergoes electrophilic substitution readily. Indeed, it is used as a scavenger for carbocations.
Pentamethylbenzene has been observed as an intermediate in the formation of hexamethylbenzene from phenol and alkylation of durene or pentamethylbenzene has been reported as a suitable starting material for the synthesis of hexamethylbenzene.

Purification Methods

Successively crystallise it from absolute EtOH, aqueous EtOH, MeOH, toluene *C6H6, and dry it under vacuum. [Rader & Smith J Am Chem Soc 84 1443 1962.] It has also been sublimed. The 1,3,5-trinitrobenzene complex (1:1) has m 121o (EtOH). [Beilstein 5 H 443, 5 III 1010, 5 IV 1109.]

Precautions

Incompatible with oxidizing agents. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

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