4706-89-2

Basic information

• Product Name: 1-Isopropyl-2,4-dimethylbenzene
• Synonyms: 1-(1-Methylethyl)-2,4-dimethylbenzene;1-Isopropyl-2,4-dimethylbenzene;2,4-Dimethyl-1-isopropylbenzene
• CAS NO: 4706-89-2
• Molecular Formula: C₁₁H₁₆
• Molecular Weight: 148.2447
• Mol File: 4706-89-2.mol
• Article Data: 7

Chemical Properties

• Melting Point: -82°C
• Boiling Point: 199.1°C
• Flash Point: 67.1°C
• Appearance: /
• Density: 0.8690
• Vapor Pressure: 0.483mmHg at 25°C
• Refractive Index: 1.4980
• CAS DataBase Reference: 1-Isopropyl-2,4-dimethylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Isopropyl-2,4-dimethylbenzene(4706-89-2)
• EPA Substance Registry System: 1-Isopropyl-2,4-dimethylbenzene(4706-89-2)

Safety Data

• Hazardous Substances Data: 4706-89-2(Hazardous Substances Data)

Usage

Physical state

Colorless liquid.

Odor

Strong.

Usage

Commonly used as a solvent in various industrial applications, and as a starting material in the synthesis of pharmaceuticals, pesticides, and other chemicals.

Presence

Can be found in certain types of gasoline and is a byproduct of petroleum refining.

Safety precautions

Handle with caution, as it can cause irritation to the skin, eyes, and respiratory system.

Industrial applications

Versatile compound with many industrial uses and applications.

InChI:InChI=1/C11H16/c1-8(2)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3

Upstream product

• 83208-06-4 2-[2.4]xylyl-propanol-⁽²⁾ 
• 108838-29-5 5-tert-butyl-2-isopropyl-1,3-dimethyl-benzene 
• 187737-37-7 propene 
• 108-38-3 m-xylene 
• 14679-12-0 1-isopropenyl-2,4-dimethyl-benzene 
• 4706-90-5 3,5-dimethylcumene 
• 67-63-0 isopropyl alcohol 
• 95-66-9 2,4-dimethylchlorobenzene 
• 80041-89-0 isopropylboronic acid 
• 201230-82-2 carbon monoxide 
• 89-74-7 2,4-dimethylacetophenone. 
• 64-17-5 ethanol 
• 861551-47-5 1-(β,β-dichloro-isopropyl)-2,4-dimethyl-benzene 
• 99-87-6 4-methylisopropylbenzene 

Downstream Products

• 6995-32-0 α-Methyl-γ-(2,4-dimethyl-5-isopropyl-phenyl)-buttersaeure 
• 3031-08-1 1,3,6-Trimethylnaphthalene 
• 187737-37-7 propene 
• 108-38-3 m-xylene 
• 6995-31-9 α-Methyl-β-(2,4-dimethyl-5-isopropyl-benzoyl)-propionsaeure 
• 4706-90-5 3,5-dimethylcumene 
• 39568-70-2 1,2,3,5-tetrabromo-4,6-dimethyl-benzene 

Relevant articles and documents

Stereospecific Pd-catalyzed cross-coupling reactions of secondary alkylboron nucleophiles and aryl chlorides

We report the development of a Pd-catalyzed process for the stereospecific cross-coupling of unactivated secondary alkylboron nucleophiles and aryl chlorides. This process tolerates the use of secondary alkylboronic acids and secondary alkyltrifluoroborates and occurs without significant isomerization of the alkyl nucelophile. Optically active secondary alkyltrifluoroborate reagents undergo cross-coupling reactions with stereospecific inversion of configuration using this method.

K-promoted Mo/Co- and Mo/Ni-catalyzed Fischer-Tropsch synthesis of aromatic hydrocarbons with and without a Cu water gas shift catalyst

The catalyst systems Mo/Co/K/ZSM-5 and Mo/Ni/K/ZSM-5, alone and with the added copper-based water gas shift catalyst, were used for the conversion of two CO/H2 ratios in a batch reactor. GC analysis of the gas phase was used to determine CO conversion while GCMS and NMR studies were used to characterize the liquid products formed and liquid product selectivities. The liquids were hydrocarbons consisting mainly of alkyl substituted benzenes. Methyl substitution in the alkyl benzenes in the product liquid ranged from an average of 1.3 to 4.5 methyls per ring depending on reaction conditions and reactant gas mole ratios. The additional presence of the WGS catalyst significantly increased CO conversion in the reactions taking place at 280 °C from ～25% to ～90% while increasing selectivity toward higher average methyl substitution. Similar conversions and selectivities were observed with both a bio-syngas and a 50/50 mixture of H2 and CO.

Isopropylation of xylenes catalyzed by ultrastable zeolite Y (USY) and some other solid acid catalysts

The isopropylation of all three xylene isomers was carried out over ultrastable zeolite Y (USY) catalyst to give corresponding dimethyl (1-methylethyl) benzenes, or in other words dimethyl cumenes (DMCs), using isopropanol as alkylating agent. The effect of reaction temperature, space velocity, substrate-to-alkylating-agent molar ratio, and time-on-stream on conversion of xylene isomers and selectivity to dimethyl cumene was studied. Isopropylation of xylenes over USY gives quite high (80 to 95%) DMC selectivity among the dimethyl cumenes, along with a 70-90% yield of DMCs in total products with respect to limiting reagents, i.e., isopropylating agents at relatively low reaction temperatures (423 ± 10 K) and at quite high xylene conversions (85-97% of theoretical maximum value). The solid acid catalysts zeolites H-Y, H-beta, H-mordenite, as well as silica-alumina and sulfated zirconia, were included for comparative studies in the isopropylation of m-xylene.