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Safety Information

429082

Sigma-Aldrich

Hexamethylbenzene

purified by sublimation, ≥99%

Synonym(s):

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

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About This Item

Linear Formula:
C6(CH3)6
CAS Number:
87-85-4
Molecular Weight:
162.27
Beilstein:
1905834
EC Number:
201-777-0
MDL number:
MFCD00008523
UNSPSC Code:
12352100
PubChem Substance ID:
24866836
NACRES:
NA.22

Assay

≥99%

purified by

sublimation

bp

264 °C (lit.)

mp

164-166 °C (lit.)

SMILES string

Cc1c(C)c(C)c(C)c(C)c1C

InChI

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

InChI key

YUWFEBAXEOLKSG-UHFFFAOYSA-N

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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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

429082-BULK:
429082-VAR:
429082-1G:
429082-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCC1284
MKBS4084V
MKBF8742V
MKBF5993V
MKBB6281

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The Raman spectrum of hexamethylbenzene single crystal.
Girlando A and Pecile C.
Chemical Physics Letters, 20(5), 467-470 (1973)
On the gearing of methyl groups in hexamethylbenzene.
Iroff LD.
Journal of Computational Chemistry, 1(1), 76-80 (1980)
Detailed features in the local mode overtone bands of ethane, neopentane, tetramethylbutane, and hexamethylbenzene.
Henry BR and Greenlay WRA.
J. Chem. Phys., 72(10), 5516-5524 (1980)
The Heats of Solution of Hexamethylbenzene, Cetyl Alcohol, and Dicetyl in Related Liquids; Heats of Fusion by an Extrapolation Process.
Parks GS and Rowe RD.
J. Chem. Phys. , 14(9), 507-510 (1946)
Yaw Kai Yan et al.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 11(4), 483-488 (2006-04-11)
Ruthenium(II) arene anticancer complexes [(eta6-arene)Ru(en)Cl]PF6 (arene is hexamethylbenzene, p-cymene, indan; en is ethylenediamine) can catalyse regioselective reduction of NAD+ by formate in water to form 1,4-NADH, at pD 7.2, 37 degrees C, and in the presence of air. The catalytic
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