CAS 87-85-4 Hexamethylbenzene Zone Refined (number of passes:20)

NAVIGATION

Hexamethylbenzene Zone Refined (number of passes:20)

PRICE INQUIRY

Catalog Number

ACM87854

CAS Number

87-85-4

Product Name

Hexamethylbenzene Zone Refined (number of passes:20)

Structure

Category

Other Material Building Blocks

IUPAC Name

1,2,3,4,5,6-hexamethylbenzene

Molecular Weight

162.27g/mol

Molecular Formula

C12H18

Canonical SMILES

CC1=C(C(=C(C(=C1C)C)C)C)C

InChI

InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3

InChI Key

YUWFEBAXEOLKSG-UHFFFAOYSA-N

Boiling Point

263.4 °C

Melting Point

166.5 °C

Solubility

1.45e-06 M

Application

Hexamethylbenzene Zone Refined (number of passes: 20) serves multiple purposes, primarily in pharmaceutical and organic synthesis applications. This white to light yellow crystalline powder is utilized as a pharmaceutical intermediate and plays a crucial role in organic synthesis as a solvent for He-NMR spectroscopy. Additionally, it functions as a ligand in organometallic chemistry, facilitating complex reactions. Its interaction with dimethyldioxirane, for instance, produces an unusual oxepane triepoxide. This compound, essentially a methylbenzene where all six hydrogens are replaced by methyl groups, highlights its versatility and significance in various chemical processes.

Complexity

91.6

Covalently-Bonded Unit Count

EC Number

201-777-0

Exact Mass

162.140851g/mol

Formal Charge

Heavy Atom Count

Log P

5.11 (LogP)

MeSH Entry Terms