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322377

Sigma-Aldrich

Hexamethylbenzene

99%

Synonym(s):

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

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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:
24859313
NACRES:
NA.22

Assay

99%

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, also known as Mellitene, is an arene ligand that is commonly used as a precursor in the synthesis of organometallic complex.

Application


  • Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites: Investigates the structure and reactivity of Ru(II)-arene complexes with curcumin metabolites, shedding light on potential applications in drug development and synthesis pathways involving hexamethylbenzene derivatives (Dyson et al., 2024).


  • Theoretical study on degradation of polymethyl substituted benzenes by OH radicals in the atmosphere: Offers a comprehensive computational analysis on the atmospheric reactions of polymethyl substituted benzenes, including hexamethylbenzene, with OH radicals, relevant for understanding their environmental impacts (Zhao et al., 2024).


  • Revisiting the bonding of the pentagonal-pyramidal C(6)H(6)(2+) and C(6)(CH(3))(6)(2+) dications: Explores the unique bonding and structural characteristics of hexamethylbenzene in dicationic forms, providing insights into its chemical behavior under various electronic conditions (Torres et al., 2023).

  • Naphthalene Diimide-Functionalized Half-Sandwich Ru(II) Complexes as Mitochondria-Targeted Anticancer and Antimetastatic Agents: Discusses the synthesis and biological evaluation of Ru(II) complexes involving hexamethylbenzene structures, aimed at developing new therapeutic agents (Yang et al., 2023).

  • Comparative Study on Carbon Erosion of Nickel Alloys in the Presence of Organic Compounds under Various Reaction Conditions: Examines the impact of organic compounds, including hexamethylbenzene, on the wear and corrosion of nickel alloys, relevant for industrial applications (Volodin et al., 2022).



Hexamethylbenzene is used as a reagent during the synthesis of ketodiepoxides via hydroxylation reactions.

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Effects of Substituted Triarylphosphine Ligands on Electron Transfer in [(p-cymene) Ru] Complexes
Anthony M N, et al.
Organometallics (2024)
The pentagonal-pyramidal hexamethylbenzene dication: many shades of coordination chemistry at carbon
Johannes K EMN, et al.
Chemistry?A European Journal , 24, 12340-12345 (2018)
Applications of Rozen?s Reagent in Oxygen-Transfer and C--H Activation Reactions
Kuldeep S, et al.
Synthesis, 51, 371-383 (2019)
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
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
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