5-Undecanone

Base Information

• Chemical Name: 5-Undecanone
• CAS No.: 33083-83-9
• Molecular Formula: C11H22 O
• Molecular Weight: 170.295
• Hs Code.: 2914190090
• European Community (EC) Number: 251-371-2
• NSC Number: 158513
• UNII: 0HA3U4E7AN
• DSSTox Substance ID: DTXSID70186744
• Nikkaji Number: J126.517B
• Wikidata: Q63395568
• Mol file: 33083-83-9.mol

Synonyms:5-Undecanone;Undecan-5-one;33083-83-9;Butyl hexyl ketone;0HA3U4E7AN;EINECS 251-371-2;NSC-158513;n-BUTYL n-HEXYL KETONE;Di-n-Pentyl ketone;NSC158513;5-Undecanone, AldrichCPR;UNII-0HA3U4E7AN;SCHEMBL531685;DTXSID70186744;MFCD00048899;NSC 158513;CS-0451142;FT-0620787;U0042;D92759;J-019017;Q63395568

Chemical Property of 5-Undecanone

Chemical Property:

• Vapor Pressure: 0.081mmHg at 25°C
• Melting Point: 1-2°C
• Refractive Index: 1.4280
• Boiling Point: 103-106°C 12mm
• Flash Point: 72.8°C
• PSA: 17.07000
• Density: 0.821g/cm³
• LogP: 3.71610
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

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

5-Undecanone >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Undecanone

There total 38 articles about 5-Undecanone 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: 76.0%

undecan-5-ol (37493-70-2) → undecan-5-one (33083-83-9)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxone; potassium bromide; methyltrioxorhenium(VII); In acetonitrile; at 0 ℃; for 4h;

Reference yield: 75.0%

pentanoic anhydride (2082-59-9) + C6H13ClMn → undecan-5-one (33083-83-9)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 4h;

DOI:10.1016/S0040-4020(01)91097-X

Reference yield: 62.0%

trihexylaluminium (1116-73-0) + C9H6NO(1-)*C5H9O(1+)*AlCl3 → undecan-5-one (33083-83-9)

Guidance literature:

In dichloromethane;

upstream raw materials:

n-butyl magnesium bromide

diethyl ether

ethylmagnesium bromide

undecan-5-ol

Downstream raw materials:

undecan-5-ol

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