429082
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:
Molecular Weight:
162.27
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
201-777-0
Beilstein/REAXYS Number:
1905834
MDL number:
Assay:
≥99%
InChI key
YUWFEBAXEOLKSG-UHFFFAOYSA-N
InChI
1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
SMILES string
Cc1c(C)c(C)c(C)c(C)c1C
assay
≥99%
purified by
sublimation
bp
264 °C (lit.)
mp
164-166 °C (lit.)
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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
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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The Raman spectrum of hexamethylbenzene single crystal.
Girlando A and Pecile C.
Chemical Physics Letters, 20(5), 467-470 (1973)
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)
Binyu Lu et al.
Environmental science and pollution research international, 22(12), 9090-9099 (2015-04-16)
Contamination levels and spatial and temporal distributions of six typical synthetic musks (SMs) in water and sediment of the Songhua River in Northeastern China were investigated. Experimental data for 72 water and 52 sediment samples collected at 29 sampling sites
I García Cuesta et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 7(12), 2503-2507 (2006-10-24)
High-level quantum-chemical methods show that the binding in the inclusion complex of hexamethylbenzene (HMB) in 6-cycloparaphenilacetylene (6-CPPA) cannot be explained only in terms of electrostatic interactions-caused by the polarization associated to curved pi-conjugated systems-and the inclusion of dispersion forces is
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)
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