429082
Hexamethylbenzene
purified by sublimation, ≥99%
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Synonym(s):
1,2,3,4,5,6-Hexamethylbenzene
Linear Formula:
C6(CH3)6
CAS Number:
Molecular Weight:
162.27
Beilstein:
1905834
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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.
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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
On the gearing of methyl groups in hexamethylbenzene.
Iroff LD.
Journal of Computational Chemistry, 1(1), 76-80 (1980)
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
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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