40649-36-3

Basic information

• Product Name: 4-Propylcyclohexanone
• Synonyms: Cyclohexanone, 4-propyl-;4-N-PROPYLCYCLOHEXANONE;4-PROPYLCYCLOHEXANONE;PROPYLCYCLOHEXAN-4-ONE;TIMTEC-BB SBB008421;4-n-Propylcyclohexanone,99%;Propylcyclohexan-4-one 98%;4-Propylcyclohexanon
• CAS NO: 40649-36-3
• Molecular Formula: C₉H₁₆O
• Molecular Weight: 140.22
• EINECS: 406-810-4
• Product Categories: blocks;BuildingBlocks;Liquid Crystal intermediates;Miscellaneous
• Mol File: 40649-36-3.mol
• Article Data: 23

Chemical Properties

• Melting Point: 32.57°C (estimate)
• Boiling Point: 115°C 36mm
• Flash Point: 86°C
• Appearance: /
• Density: 0.907 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.29mmHg at 25°C
• Refractive Index: n20/D 1.453
• Storage Temp.: Store below +30°C.
• Solubility: 1.96g/l
• Water Solubility: 1.96g/L at 20℃
• BRN: 2076023
• CAS DataBase Reference: 4-Propylcyclohexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Propylcyclohexanone(40649-36-3)
• EPA Substance Registry System: 4-Propylcyclohexanone(40649-36-3)

Safety Data

• Hazard Codes: Xi
• Statements: 38-52/53
• Safety Statements: 25-37-61
• RIDADR: NA 1993 / PGIII
• WGK Germany: 1
• Hazardous Substances Data: 40649-36-3(Hazardous Substances Data)

Usage

Chemical Properties

Colorless liquid

Uses

Intermediates of Liquid Crystals

Flammability and Explosibility

Notclassified

InChI:InChI=1/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3

Upstream product

• 645-56-7 4-n-Propylphenol 
• 97-54-1 2-methoxy-4-propenylphenol 
• 97-53-0 4-allylguaiacol 
• 4746-97-8 cyclohexanedione monoethylene ketal 
• 2785-87-7 2-methoxy-4-n-propylphenol 
• 52204-65-6 4-n-propylcyclohexanol 
• 98790-22-8 cis-4-Propylcyclohexanol 
• 77866-58-1 trans-4-propylcyclohexanol 

Downstream Products

• 95379-25-2 2'-Fluoro-4''-propyl-[1,1';4',1'']terphenyl 
• 88069-94-7 1-Phenyl-4-propyl-cyclohexanol 
• 337469-89-3 1-(2-Fluoro-biphenyl-4-yl)-4-propyl-cyclohexanol 
• 77866-58-1 trans-4-propylcyclohexanol 
• 98790-22-8 cis-4-Propylcyclohexanol 
• 52204-65-6 4-n-propylcyclohexanol 
• 477344-89-1 ethyl cis-1-hydroxy-4-propylcyclohexanecarboxylate 
• 251324-79-5 trans-1-hydroxy-4-isopropylcyclohexanecarbonitrile 
• 1003601-42-0 4-n-propyl-1-trimethylsilyloxy-1-cyclohexene 
• 1055414-60-2 4-propyl-2,6-bis(trifluoroacetyl)cyclohexanone 

Relevant articles and documents

Hydrogenation of 4-propylphenol over carbon-supported palladium catalyst without external hydrogen: Effect of carbon support and palladium loading

The ring hydrogenation of 4-propylphenol in aqueous ethanol solution was studied over graphite- and activated carbon-supported palladium catalysts (Pd/G and Pd/C) with 0.15 wt % of palladium loadings without using external hydrogen. Decomposition of ethan

Liquid-phase Hydrodeoxygenation of 4-Propylphenol to Propylbenzene: Reducible Supports for Pt Catalysts

Pyrolysis and liquefaction biocrudes obtained from lignocellulose are rich in phenolic compounds that can be converted to renewable aromatics. In this study, Pt catalysts on reducible metal oxide supports (Nb2O5, TiO2), along with irreducible ZrO2 as a reference, were investigated in the liquid-phase hydrodeoxygenation (HDO) of 4-propylphenol (350 °C, 20 bar H2, organic solvent). The most active catalyst was Pt/Nb2O5, which led to the molar propylbenzene selectivity of 77 percent, and a yield of 75 percent (98 percent conversion). Reducible metal oxide supports provided an increased activity and selectivity to the aromatic product compared to ZrO2, and the obtained results are among the best reported in liquid-phase. The reusability of the spent catalysts was also studied. The spent Pt/Nb2O5 catalyst provided the lowest conversion, while the product distribution of the spent Pt/ZrO2 catalyst changed towards oxygenates. The results highlight the potential of pyrolysis or liquefaction biocrudes as a source of aromatic chemicals.

Surface Modification of a Supported Pt Catalyst Using Ionic Liquids for Selective Hydrodeoxygenation of Phenols into Arenes under Mild Conditions

The selective and efficient removal of oxygenated groups from lignin-derived phenols is a critical challenge to utilize lignin as a source for renewable aromatic chemicals. This report describes how surface modification of a zeolite-supported Pt catalyst using ionic liquids (ILs) remarkably increases selectivity for the hydrodeoxygenation (HDO) of phenols into arenes under mild reaction conditions using atmospheric pressure H2. Unmodified Pt/H-ZSM-5 converts phenols into aliphatic species as the major products along with a slight amount of arenes (10 % selectivity). In contrast, the catalyst modified with an IL, 1-butyl-3-methylimidazolium triflate, keeps up to 76 % selectivity for arenes even at a nearly complete conversion of phenols. The IL on the surface of Pt catalyst may offer the adsorption of phenols in an edge-to-face manner onto the surface, thus accelerating the HDO without the ring hydrogenation.