2-Methyl-5-undecanone

Base Information

• Chemical Name: 2-Methyl-5-undecanone
• CAS No.: 50639-02-6
• Molecular Formula: C12H24O
• Molecular Weight: 184.3184
• DSSTox Substance ID: DTXSID50198683
• Nikkaji Number: J121.769K
• Wikidata: Q83071507
• Mol file: 50639-02-6.mol

Synonyms:2-METHYL-5-UNDECANONE;5-Undecanone, 2-methyl-;50639-02-6;SCHEMBL22443732;DTXSID50198683;JLTHSCDXCKBHCZ-UHFFFAOYSA-N;AKOS006145669

Chemical Property of 2-Methyl-5-undecanone

Chemical Property:

• Vapor Pressure: 0.0501mmHg at 25°C
• Melting Point: -11.27°C (estimate)
• Refractive Index: 1.4306 (estimate)
• Boiling Point: 235.4°Cat760mmHg
• Flash Point: 93.2°C
• PSA: 17.07000
• Density: 0.822g/cm³
• LogP: 3.96210
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CCCCCCC(=O)CCC(C)C

Technology Process of 2-Methyl-5-undecanone

There total 6 articles about 2-Methyl-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:

2-methyl-undec-3t-en-5-one (63859-51-8) → 2-methyl-5-undecanone (50639-02-6)

Guidance literature:

With nickel; at 200 ℃; Hydrogenation;

Reference yield:

2-methyl-propan-1-ol (78-83-1) + hexyl-methyl-ketone (111-13-7) → 2-methyl-5-undecanone (50639-02-6)

Guidance literature:

With potassium hydroxide; bis(1,5-cyclooctadiene)diiridium(I) dichloride; triphenylphosphine; at 100 ℃; for 4h;

Reference yield:

2-methylheptanal (16630-91-4) → 2-methyl-5-undecanone (50639-02-6)

Guidance literature:

Multi-step reaction with 2 steps

1: alcoholic KOH / <35 / folgende Destillation ueber Jod

2: nickel / 200 °C / Hydrogenation

With potassium hydroxide; nickel;

upstream raw materials:

2-methyl-undec-3t-en-5-one

tert-butylisonitrile

dihexylboron chloride

isoamyl lithium