1839-63-0

Basic information

• Product Name: 1,3,5-TRIMETHYLCYCLOHEXANE
• Synonyms: 1,3,5-TRIMETHYLCYCLOHEXANE;HEXAHYDROMESITYLENE;1 3 5-TRIMETHYLCYCLOHEXANE MIXTURE OF &;1,3,5-TRIMETHYLCYCLOHEXANE 98+%
• CAS NO: 1839-63-0
• Molecular Formula: C₉H₁₈
• Molecular Weight: 126.24
• EINECS: 217-417-0
• Mol File: 1839-63-0.mol
• Article Data: 17

Chemical Properties

• Melting Point: -50 °C
• Boiling Point: 140°C
• Flash Point: 19°C
• Appearance: /
• Density: 0.77
• Refractive Index: 1.4260 to 1.4290
• CAS DataBase Reference: 1,3,5-TRIMETHYLCYCLOHEXANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-TRIMETHYLCYCLOHEXANE(1839-63-0)
• EPA Substance Registry System: 1,3,5-TRIMETHYLCYCLOHEXANE(1839-63-0)

Safety Data

• Statements: 11
• Safety Statements: 9-16-33
• RIDADR: 1993
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 1839-63-0(Hazardous Substances Data)

Usage

General Description

1,3,5-Trimethylcyclohexane is a chemical compound with the molecular formula C9H18. It is a colorless, flammable liquid with a strong odor. 1,3,5-Trimethylcyclohexane is primarily used as a solvent in various industrial processes and as an intermediate in the production of other chemicals. It is also used as a fuel additive to improve the octane rating of gasoline. 1,3,5-Trimethylcyclohexane is considered to be relatively low in toxicity and is not known to have any harmful effects on human health or the environment when used properly and in accordance with appropriate safety measures.

InChI:InChI=1/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3

Upstream product

• 540-84-1 2,2,4-trimethylpentane 
• 110-82-7 cyclohexane 
• 187737-37-7 propene 
• 34557-54-5 methane 
• 2040-95-1 n-butylcyclopentane 
• 1678-92-8 propylcyclohexane 
• 13151-55-8 ethylcycloheptane 
• 3728-57-2 2-methyl-1-propylcyclopentane 
• 696-29-7 (1-methylethyl)-cyclohexane 
• 108-88-3 toluene 
• 4074-23-1 1,3,5-trimethylcyclohexane-1,4-diene 
• 527-60-6 Mesitol 
• 108-67-8 1,3,5-trimethyl-benzene 
• 90760-75-1 Opt_.-inakt. 1-Hydroxy-1.3.5-trimethyl-cyclohexan 

Downstream Products

• 608-50-4 2,4-dinitromesitylene 
• 108-67-8 1,3,5-trimethyl-benzene 
• 519-73-3 triphenylmethane 
• 602-96-0 2,4,6-trinitromesitylene 
• 4500-16-7 2,4,6-trimethyl-cyclohexanone oxime 
• 56134-21-5 3,5-Dimethyl-1-cyclohexan-carbaldehyd-oxim 

Relevant articles and documents

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Size-selective hydrogenation at the subnanometer scale over platinum nanoparticles encapsulated in silicalite-1 single crystal hollow shells

Highly controlled "ship-in-a-bottle" platinum nanoparticles in silicalite-1 hollow single crystals have been prepared. This catalyst is highly active for toluene hydrogenation but shows no activity for the hydrogenation of 1,3,5-trimethylbenzene.

Chemoselective and Tandem Reduction of Arenes Using a Metal–Organic Framework-Supported Single-Site Cobalt Catalyst

The development of heterogeneous, chemoselective, and tandem catalytic systems using abundant metals is vital for the sustainable synthesis of fine and commodity chemicals. We report a robust and recyclable single-site cobalt-hydride catalyst based on a porous aluminum metal–organic framework (DUT-5 MOF) for chemoselective hydrogenation of arenes. The DUT-5 node-supported cobalt(II) hydride (DUT-5-CoH) is a versatile solid catalyst for chemoselective hydrogenation of a range of nonpolar and polar arenes, including heteroarenes such as pyridines, quinolines, isoquinolines, indoles, and furans to afford cycloalkanes and saturated heterocycles in excellent yields. DUT-5-CoH exhibited excellent functional group tolerance and could be reusable at least five times without decreased activity. The same MOF-Co catalyst was also efficient for tandem hydrogenation–hydrodeoxygenation of aryl carbonyl compounds, including biomass-derived platform molecules such as furfural and hydroxymethylfurfural to cycloalkanes. In the case of hydrogenation of cumene, our spectroscopic, kinetic, and density functional theory (DFT) studies suggest the insertion of a trisubstituted alkene intermediate into the Co–H bond occurring in the turnover limiting step. Our work highlights the potential of MOF-supported single-site base–metal catalysts for sustainable and environment-friendly industrial production of chemicals and biofuels.

Titanium(III)-Oxo Clusters in a Metal-Organic Framework Support Single-Site Co(II)-Hydride Catalysts for Arene Hydrogenation

Titania (TiO2) is widely used in the chemical industry as an efficacious catalyst support, benefiting from its unique strong metal-support interaction. Many proposals have been made to rationalize this effect at the macroscopic level, yet the underlying molecular mechanism is not understood due to the presence of multiple catalytic species on the TiO2 surface. This challenge can be addressed with metal-organic frameworks (MOFs) featuring well-defined metal oxo/hydroxo clusters for supporting single-site catalysts. Herein we report that the Ti8(μ2-O)8(μ2-OH)4 node of the Ti-BDC MOF (MIL-125) provides a single-site model of the classical TiO2 support to enable CoII-hydride-catalyzed arene hydrogenation. The catalytic activity of the supported CoII-hydride is strongly dependent on the reduction of the Ti-oxo cluster, definitively proving the pivotal role of TiIII in the performance of the supported catalyst. This work thus provides a molecularly precise model of Ti-oxo clusters for understating the strong metal-support interaction of TiO2-supported heterogeneous catalysts.