Hexamethylbenzene

ALDRICH/322377 - 99%

Synonym: 1,2,3,4,5,6-Hexamethylbenzene; Mellitene

CAS Number: 87-85-4
Empirical Formula (Hill Notation): C₁₂H₁₈
Molecular Weight: 162.27
EC Number: 201-777-0
MDL Number: MFCD00008523
Linear Formula: C₆(CH₃)₆
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-322377-1G	1 g	$51.20 1/EA	Add To Favorites
45-322377-5G	5 g	$164.00 1/EA	Add To Favorites

This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 322377-1G

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
bp	264 °C (lit.)
InChI	1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChI key	YUWFEBAXEOLKSG-UHFFFAOYSA-N
mp	164-166 °C (lit.)
Quality Level	100
SMILES string	Cc1c(C)c(C)c(C)c(C)c1C

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 ).
Application:	Hexamethylbenzene is used as a reagent during the synthesis of ketodiepoxides via hydroxylation reactions.
General description:	Hexamethylbenzene, also known as Mellitene, is an arene ligand that is commonly used as a precursor in the synthesis of organometallic complex.
Packaging:	1, 5 g in glass bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	99%
bp	264 °C (lit.)
mp	164-166 °C (lit.)
UNSPSC	12352100

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