322377

Hexamethylbenzene

99%

• Synonym(s): 1,2,3,4,5,6-Hexamethylbenzene, Mellitene
• Linear Formula: C₆(CH₃)₆
• CAS Number: 87-85-4
• Molecular Weight: 162.27
• Beilstein/REAXYS Number: 1905834
• EC Number: 201-777-0
• MDL number: MFCD00008523
• UNSPSC Code: 12352100
• PubChem Substance ID: 24859313
• NACRES: NA.22

Properties

• Quality Level: 100
• 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

Description

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.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)