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Pentamethylbenzene

Product Name
Pentamethylbenzene
CAS No.
700-12-9
Chemical Name
Pentamethylbenzene
Synonyms
1,2,3,4,5-PENTAMETHYLBENZENE;PentaMethy;PENTAMETHYLBENZENE;Pentamethyl phenyl;Pentmethyl Benzene;pentamethyl-benzen;benzene,pentamethyl-;Pentamethylbenzene>Pentamethylbenzene,99%;Pentamethylbenzene~95%
CBNumber
CB6854133
Molecular Formula
C11H16
Formula Weight
148.24
MOL File
700-12-9.mol
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Pentamethylbenzene Property

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

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H228Flammable solid

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
153613
Product name
Pentamethylbenzene
Purity
98%
Packaging
5g
Price
$76.5
Updated
2024/03/01
Sigma-Aldrich
Product number
153613
Product name
Pentamethylbenzene
Purity
98%
Packaging
100g
Price
$298
Updated
2024/03/01
TCI Chemical
Product number
P0043
Product name
Pentamethylbenzene
Purity
>99.0%(GC)
Packaging
5g
Price
$62
Updated
2024/03/01
TCI Chemical
Product number
P0043
Product name
Pentamethylbenzene
Purity
>99.0%(GC)
Packaging
25g
Price
$175
Updated
2024/03/01
Alfa Aesar
Product number
L04163
Product name
Pentamethylbenzene, 99%
Packaging
5g
Price
$33.65
Updated
2024/03/01
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Pentamethylbenzene Chemical Properties,Usage,Production

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.

Pentamethylbenzene Preparation Products And Raw materials

Raw materials

Preparation Products

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Pentamethylbenzene Suppliers

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View Lastest Price from Pentamethylbenzene manufacturers

Henan Fengda Chemical Co., Ltd
Product
Pentamethylbenzene 700-12-9
Price
US $100.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-25
Henan Aochuang Chemical Co.,Ltd.
Product
Pentamethylbenzene 700-12-9
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-29
Zhuozhou Wenxi import and Export Co., Ltd
Product
Pentamethylbenzene 700-12-9
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-11

700-12-9, PentamethylbenzeneRelated Search:

o-Xylene p-Toluenesulfonic acid Tolylene-2,4-diisocyanate Xylene 4-(Aminomethyl)benzoic acid 1-BROMO-2,3,4,5,6-PENTAMETHYLBENZENE HEXAMETHYLBENZENE 2,3,5,6-TETRAMETHYL-P-XYLENE-ALPHA,ALPHA'-DIOL PENTAMETHYLBENZONITRILE MELLITIC ACID à(2),à(4)-dichloro-1,2,3,4,5-pentamethylbenzene,2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene~alpha(2),alpha(4)-Dichloro-1,2,3,4,5-pentamethylbenzene 2 3 5 6-TETRAMETHYLBENZOIC ACID 98 3-Aminopyridine 2',3',4',5',6'-PENTAMETHYLACETOPHENONE 2,3,5,6-TETRAMETHYLACETOPHENONE 2,3,5,6-TETRAMETHYLBENZYL CHLORIDE 1-(HYDROXYMETHYL)-2,3,4,5,6-PENTAMETHYLBENZENE DECACYCLENE

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