429082
六甲基苯
purified by sublimation, ≥99%
别名:
1,2,3,4,5,6-六甲基苯
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关于此项目
线性分子式:
C6(CH3)6
化学文摘社编号:
分子量:
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
六甲基苯（HMB）是一种甲基苯衍生物。由于两种构型不等价的氢，其在四氯化碳溶液中的泛频光谱显示出双峰结构。在25°C下获得了结晶HMB的溶解热，通过外推法从中推导出了熔化热。甲基的内部运动已通过经验力场计算进行了解释。分析了室温下HMB的偏振拉曼光谱。
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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)
On the gearing of methyl groups in hexamethylbenzene.
Iroff LD.
Journal of Computational Chemistry, 1(1), 76-80 (1980)
The Raman spectrum of hexamethylbenzene single crystal.
Girlando A and Pecile C.
Chemical Physics Letters, 20(5), 467-470 (1973)
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)
P D Gorycki et al.
Chemical research in toxicology, 7(6), 745-751 (1994-11-01)
Hexamethyl(Dewar benzene) (HMDB) was selected to probe the intermediacy of an alkene radical cation during cytochrome P450 (P450) catalyzed epoxidation. P450 catalyzed the allylic oxidation of HMDB exclusively; no rearranged products (indicative of a radical cation intermediate) nor epoxide was
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