5-Nonanone

Base Information

• Chemical Name: 5-Nonanone
• CAS No.: 502-56-7
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• Hs Code.: 29141990
• European Community (EC) Number: 207-946-5
• NSC Number: 14761
• UN Number: 1224
• UNII: V8B2Y1BZ3S
• DSSTox Substance ID: DTXSID7022045
• Nikkaji Number: J6.203K
• Wikipedia: 5-Nonanone
• Wikidata: Q27291664
• Mol file: 502-56-7.mol

Synonyms:5-nonanone

Chemical Property of 5-Nonanone

Chemical Property:

• Appearance/Colour: clear or slight yellow liquid
• Vapor Pressure: 0.553mmHg at 25°C
• Melting Point: -50 ºC
• Boiling Point: 186-187 ºC
• Flash Point: 65 ºC
• PSA: 17.07000
• Density: 0.826
• LogP: 2.93590
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 76.7
• Transport DOT Label: Flammable Liquid

Purity/Quality:

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Safety Statements: S23:; S24/25:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCC(=O)CCCC

Technology Process of 5-Nonanone

There total 144 articles about 5-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: 100.0%

5-nonanol (623-93-8) → nonanone-5 (502-56-7)

Guidance literature:

With potassium peroxymonosulfate; sodium ortho-iodobenzenesulfonate; In acetonitrile; at 70 ℃; for 3h; Product distribution / selectivity;

Reference yield: 98.0%

5-nonanol (623-93-8) + diethylazodicarboxylate (1972-28-7,218603-74-8) → nonanone-5 (502-56-7) + diethyl hydrazodicarboxylate (4114-28-7)

Guidance literature:

With zinc dibromide; In toluene; for 4h; Reflux;

DOI:10.1016/j.tetlet.2009.01.080

Reference yield: 96.0%

butylmercury (1+); bromide (17774-02-6) → nonanone-5 (502-56-7)

Guidance literature:

With potassium iodide; In N,N-dimethyl-formamide; at 80 ℃; for 20h; further solvent;

upstream raw materials:

2-butyltetrahydropyran

n-butyl magnesium bromide

Dimethoxymethane

pentanonitrile

Downstream raw materials:

5,8-Dibutyl-dodec-6-in-5,8-diol

4,4'-(nonane-5,5-diyl)bis(2-methylphenol)

C₁₇H₂₉NO₂S

1-Phenyl-4-propyl-nonane-3,5-dione

Refernces

• 1、 Schwartz. "". . p. 2803,2804, 2805. Retrieved 1972.
• 2、 Cooke, Manning P.. "Acylation of Organolithium Reagents by Esters in the Presence of Chlorotrimethylsilane". . p. 951 - 953. Retrieved 1986.
• 3、 Ardiansah, Bayu,Kakiuchi, Kiyomi,Morimoto, Tsumoru,Tanimoto, Hiroki,Tomohiro, Takenori. "Sulfonium ion-promoted traceless Schmidt reaction of alkyl azides". . p. 8738 - 8741. Retrieved 2021/09/08.
• 4、 Karanwal, Neha,Verma, Deepak,Butolia, Paresh,Kim, Seung Min,Kim, Jaehoon. "One-pot direct conversion of levulinic acid into high-yield valeric acid over a highly stable bimetallic Nb-Cu/Zr-doped porous silica catalyst". supporting information. p. 766 - 787. Retrieved 2020/02/25.