4-Nonanone

Base Information

• Chemical Name: 4-Nonanone
• CAS No.: 4485-09-0
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• Hs Code.: 29141990
• European Community (EC) Number: 224-770-4
• DSSTox Substance ID: DTXSID5063493
• Nikkaji Number: J47.196H
• Wikidata: Q31838919
• Metabolomics Workbench ID: 5524
• Mol file: 4485-09-0.mol

Synonyms:Pentylpropyl ketone;Propyl amyl ketone;

Chemical Property of 4-Nonanone

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.553mmHg at 25°C
• Melting Point: -18.52°C (estimate)
• Refractive Index: 1.419-1.422
• Boiling Point: 190 °C at 760 mmHg
• Flash Point: 61.4 °C
• PSA: 17.07000
• Density: 0.816 g/cm³
• LogP: 2.93590
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 86.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Nonanone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCCC(=O)CCC
• Uses: 4-Nonanone is used for alkylation in the presence of an array of different metal-complex catalysts. It has been identified as an odour-impact compound and it is used as a food additive.

Technology Process of 4-Nonanone

There total 56 articles about 4-Nonanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

Propyl-pentyl-carbinol (5932-79-6) → nonan-4-one (4485-09-0)

Guidance literature:

With 4,4'-bis-(dichloroiodo)-biphenyl; tetraethylammonium bromide; In chloroform; at 20 ℃; for 0.416667h;

DOI:10.1080/00397910600978242

Reference yield: 92.0%

(2E)-2-nonen-4-ol (820-25-7) → nonan-4-one (4485-09-0)

Guidance literature:

hydridotris(triphenylphosphine)rhodium; In tetrahydrofuran; Heating;

DOI:10.1002/1099-0690(200108)2001:16<3141::AID-EJOC3141>3.0.CO;2-Y

Reference yield: 91.0%

((S)-2-Methoxymethyl-pyrrolidin-1-yl)-[1-propyl-hex-(Z)-ylidene]-amine → nonan-4-one (4485-09-0)

Guidance literature:

With water; oxalic acid; In diethyl ether; for 4h; Ambient temperature;

DOI:10.1055/s-1998-1765

upstream raw materials:

(E)-2-(pent-1-en-1-yl)furan

2-pentylfuran

2-propylhept-1-ene

n-propylzinc iodide

Downstream raw materials:

nonan-4-one-(2,4-dinitro-phenylhydrazone)

4-(2-n-Propyl-1-heptyl)benzoesaeure

propanoic acid methyl ester

butanoic acid methyl ester

Refernces

• 1、 Bryant,Clemo. "-". . p. 2081,2082. Retrieved 1931.
• 2、 Dong, Wenke,Yang, Hongxuan,Yang, Wen,Zhao, Wanxiang. "Rhodium-Catalyzed Remote Isomerization of Alkenyl Alcohols to Ketones". . . Retrieved 2020/02/28.
• 3、 Goulas, Konstantinos A.,Gunbas, Gorkem,Dietrich, Paul J.,Sreekumar, Sanil,Grippo, Adam,Chen, Justin P.,Gokhale, Amit A.,Toste, F. Dean. "ABE Condensation over Monometallic Catalysts: Catalyst Characterization and Kinetics". . p. 677 - 684. Retrieved 2017/02/26.