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HEXAMETHYLBENZENE

Product Name
HEXAMETHYLBENZENE
CAS No.
87-85-4
Chemical Name
HEXAMETHYLBENZENE
Synonyms
1,2,3,4,5,6-Hexamethylbenzene;hexamethyl-benzen;benzene,hexamethyl-;MELLITENE;Mellithene;HexaMethylbenz;Hexamethylbenzol;HEXAMETHYLBENZENE;Hexanmethylbenzene;Hexamethylbenzene>
CBNumber
CB9282317
Molecular Formula
C12H18
Formula Weight
162.27
MOL File
87-85-4.mol
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HEXAMETHYLBENZENE Property

Melting point:
164-166 °C (lit.)
Boiling point:
264 °C (lit.)
Density 
1,063 g/cm3
refractive index 
1.4842
Flash point:
265°C
storage temp. 
Store at room temperature
form 
Crystalline Powder or Crystals, Needles
color 
White to light yellow
Water Solubility 
Insoluble in water
BRN 
1905834
InChI
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChIKey
YUWFEBAXEOLKSG-UHFFFAOYSA-N
SMILES
C1(C)=C(C)C(C)=C(C)C(C)=C1C
CAS DataBase Reference
87-85-4(CAS DataBase Reference)
EPA Substance Registry System
Hexamethylbenzene (87-85-4)
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Safety

Safety Statements 
24/25
WGK Germany 
3
RTECS 
DA3200000
TSCA 
Yes
HS Code 
29029090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H413May cause long lasting harmful effects to aquatic life

Precautionary statements

P273Avoid release to the environment.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
322377
Product name
Hexamethylbenzene
Purity
99%
Packaging
1g
Price
$48.1
Updated
2025/07/31
Sigma-Aldrich
Product number
322377
Product name
Hexamethylbenzene
Purity
99%
Packaging
5g
Price
$154
Updated
2025/07/31
TCI Chemical
Product number
H0087
Product name
Hexamethylbenzene
Purity
>99.0%(GC)
Packaging
5g
Price
$67
Updated
2025/07/31
TCI Chemical
Product number
H0087
Product name
Hexamethylbenzene
Purity
>99.0%(GC)
Packaging
25g
Price
$206
Updated
2025/07/31
Sigma-Aldrich
Product number
429082
Product name
Hexamethylbenzene
Purity
purified by sublimation, ≥99%
Packaging
1g
Price
$55.4
Updated
2023/06/20
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HEXAMETHYLBENZENE Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystalline powder or

Uses

Hexamethylbenzene is used as pharmaceutical intermediates, in organic synthesis of compounds, as a solvent for He-NMR spectroscopy. Used as a ligand in organometallic chemistry. Reaction with dimethyldioxirane, gives the major product, an unusual oxepane triepoxide.

Definition

ChEBI: A methylbenzene that is benzene in which all six hydrogens have been replaced by methyl groups.

General Description

Hexamethylbenzene (HMB) is a methyl benzene derivative. Its overtone spectra in carbon tetrachloride solution shows doublet structure due to two types of configurationally inequivalent hydrogens. The heat of solution of crystalline HMB has been obtained at 25°C from which the heat of fusion has been deduced by extrapolation process. The internal motion of the methyl groups has been explained by empirical force field calculations. Polarized Raman spectra of HMB at room temperature have been analyzed.

Hazard

Combustible.

Purification Methods

Sublime hexamethylbenzene, then crystallise it from abolute EtOH, *benzene, EtOH/*benzene or EtOH/cyclohexane. It has also been purified by zone melting. Dry it in a vacuum over P2O5. [Beilstein 5 H 450, 5 IV 1137.]

HEXAMETHYLBENZENE Preparation Products And Raw materials

Raw materials

Quartz

Preparation Products

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View Lastest Price from HEXAMETHYLBENZENE manufacturers

Shandong Deshang Chemical Co., Ltd.
Product
HEXAMETHYLBENZENE 87-85-4
Price
US $10.00-7.00/kg
Min. Order
1kg
Purity
99.99%
Supply Ability
10 tons
Release date
2024-06-05
Career Henan Chemical Co
Product
HEXAMETHYLBENZENE 87-85-4
Price
US $9.80/KG
Min. Order
1KG
Purity
≥98%
Supply Ability
20 tons
Release date
2020-01-10

87-85-4, HEXAMETHYLBENZENERelated Search:

PENTAMETHYLBENZOIC ACID 2,3,4,5,6-PENTAMETHYLBENZYL CHLORIDE PENTAMETHYLPHENYLACETONITRILE DECACYCLENE 2,3,4,5,6-PENTAMETHYLBENZYL ALCOHOL PENTAMETHYLBENZALDEHYDE TRUXENE Hexaphenylbenzene MELLITIC ACID PENTAMETHYLBENZONITRILE TETRAMETHYLTEREPHTHALIC ACID hexamethylbenzene-alpha1,alpha4-diol Dodecahydrotriphenylene 2',3',4',5',6'-PENTAMETHYLACETOPHENONE Antioxidant 1330 TETRAPHENYLPHTHALIC ANHYDRIDE DICHLORO(HEXAMETHYLBENZENE)RUTHENIUM(II) DIMER,(HEXAMETHYLBENZENE)RUTHENIUM(II) DICHLORIDE DIMER Hexamethylbenzene, deuterated,HEXAMETHYLBENZENE-D18,99ATOM%

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  • Hexamethylbenzene, 98+%
  • HexaMethylbenzene purified by subliMation, >=99%
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  • Hexamethylbenzene in isooctane
  • Torasemide Impurity 53
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