589-63-9

Basic information

• Product Name: 4-OCTANONE
• Synonyms: N-BUTYL N-PROPYL KETONE;4-OCTANONE;Butyl propyl ketone;butylpropylketone;n-C4H9COCH2CH2CH3;octan-4-one;Propyl n-butyl ketone;4-OCTANONE 98%
• CAS NO: 589-63-9
• Molecular Formula: C₈H₁₆O
• Molecular Weight: 128.21
• EINECS: 209-655-9
• Mol File: 589-63-9.mol
• Article Data: 128

Chemical Properties

• Melting Point: -32.24°C (estimate)
• Boiling Point: 166°C
• Flash Point: 53.7°C
• Appearance: /
• Density: 0,82 g/cm3
• Vapor Pressure: 2.11mmHg at 25°C
• Refractive Index: 1.4120-1.4150
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-OCTANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-OCTANONE(589-63-9)
• EPA Substance Registry System: 4-OCTANONE(589-63-9)

Safety Data

• Statements: 10
• Safety Statements: 16
• RIDADR: 1224
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 589-63-9(Hazardous Substances Data)

Usage

Chemical Properties

Colorless clear liquid

Synthesis Reference(s)

Tetrahedron Letters, 19, p. 2345, 1978 DOI: 10.1016/S0040-4039(01)91532-1The Journal of Organic Chemistry, 49, p. 2288, 1984 DOI: 10.1021/jo00186a043

InChI:InChI=1/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3

Upstream product

• 4466-24-4 2-Butylfuran 
• 693-03-8 n-butyl magnesium bromide 
• 106-31-0 butanoic acid anhydride 
• 156-54-7 sodium butyrate 
• 1942-45-6 4-Octyne 
• 110-59-8 pentanonitrile 
• 927-77-5 n-propylmagnesium bromide 
• 22286-99-3 (E)-2-octen-4-one 
• 1086238-40-5 meso-2,6-octadiene-4,5-diol 
• 109-72-8 n-butyllithium 
• 107-92-6 butyric acid 
• 71-43-2 benzene 
• 111-65-9 octane 
• 371-69-7 ethyl fluorosulfonate 

Downstream Products

• 15735-35-0 4-Octanon-semicarbazon 
• 89188-91-0 octan-4-one phenylhydrazone 
• 20739-55-3 4-phenyl-octan-4-ol 
• 589-62-8 octan-4-ol 
• 107-92-6 butyric acid 
• 381-43-1 4,4-difluorooctane 
• 109-21-7 butyl butyrate 
• 1003-64-1 ethylidenecyclohexane 
• 141-06-0 propyl valerate 
• 1311463-02-1 C₁₈H₂₄F₂O₄ 
• 5047-05-2 4-octyl-p-nitrophenyltriazene 
• 82834-22-8 4-octyl-p-acetylphenyltriazene 
• 89188-95-4 3-ethyl-2-n-butylindole 
• 7207-51-4 octan-4-one oxime 

Relevant articles and documents

Ligand effects in the stabilization of gold nanoparticles anchored on the surface of graphene: Implications in catalysis

Gold nanoparticles (Au NPs) functionalized with N-heterocyclic carbene (NHC) ligands immobilized onto graphene are obtained via spontaneous decomposition of well-defined gold-NHC complexes by reduced graphene oxide (rGO) without reducing agents. NHC ligands are responsible for the formation of air-stable, crystalline and small (3.0–4-0 nm) Au NPs homogeneously distributed on the surface of graphene. The catalytic properties of three Au NPs functionalized with different ligands were tested in two benchmark reactions (hydration of alkynes and intramolecular hydroamination of alkynes). The results reveal a pronounced ligand effect on the stability of Au NPs on graphene, by acting as a bridge between them. The Au NPs functionalized with a NHC ligand lacking a polyaromatic group or having a naphthyl tag displayed limited stability and fast deactivation in the first run. On the contrary, the Au NPs functionalized with a NHC ligand containing a pyrenyl handle showed superior catalytic activity and can be recycled at least ten times. The particle size of the Au NPs is preserved after the recycling process indicating a high stability. These results illustrate the use of purposely designed ligands having affinity for both Au NPs and graphene to increase the stability of the hybrid catalyst.

The effects of metals and ligands on the oxidation of n-octane using iridium and rhodium “PNP” aminodiphosphine complexes

Ir and Rh “PNP” complexes with different ligands are utilized for the oxidation of n-octane. Based on the obtained conversion, selectivity, and the characterized recovered catalysts, it is found that the combination of Ir and the studied ligands does not promote the redox mechanism that is known to result in selective formation of oxo and peroxo compounds [desired species for C(1) activation]. Instead, they support a deeper oxidation mechanism, and thus higher selectivity for ketones and acids is obtained. In contrast, these ligands seem to tune the electron density around the Rh (in the Rh-PNP complexes), and thus result in a higher n-octane conversion and improved selectivity for the C(1) activated products, with minimized deeper oxidation, in comparison to Ir-PNP catalysts.

Method for preparing ketone compound from olefin

The invention belongs to the technical field of organic chemical synthesis, and discloses a method for preparing a ketone compound from olefin by using an iron catalyst. According to the invention, the ligand and the iron salt form an iron catalyst in the on-site reaction, the raw materials in the formula are easy to obtain, and the synthesis is simple. By using the catalyst, olefin can be efficiently converted into ketone compounds, and compared with a palladium catalyst, the price is very low, and the catalyst is suitable for industrial application.