5-Methyl-5-undecanol

Base Information

• Chemical Name: 5-Methyl-5-undecanol
• CAS No.: 21078-80-8
• Molecular Formula: C12H26O
• Molecular Weight: 186.338
• DSSTox Substance ID: DTXSID201030737
• Nikkaji Number: J190.807C
• Mol file: 21078-80-8.mol

Synonyms:5-methyl-5-undecanol;5-methyl-undecan-5-ol;5-methylundecan-5-ol;21078-80-8;SCHEMBL2340251;DTXSID201030737

Chemical Property of 5-Methyl-5-undecanol

Chemical Property:

• Vapor Pressure: 0.00963mmHg at 25°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 186.198365449
• Heavy Atom Count: 13
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)(CCCC)O

Technology Process of 5-Methyl-5-undecanol

There total 4 articles about 5-Methyl-5-undecanol 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:

t-butyl bromide (507-19-7) + hexyl-methyl-ketone (111-13-7) → rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + 5-methyl-5-undecanol (21078-80-8) + 7,8-dimethyl-7,8-tetradecanediol (41051-71-2)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; for 96h; Title compound not separated from byproducts; Heating;

DOI:10.1021/ja00528a029

Reference yield:

s-butyl bromide (78-76-2,5787-31-5) + hexyl-methyl-ketone (111-13-7) → rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + 5-methyl-5-undecanol (21078-80-8) + 7,8-dimethyl-7,8-tetradecanediol (41051-71-2)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; for 36h; Title compound not separated from byproducts; Heating;

DOI:10.1021/ja00528a029

Reference yield:

Isobutyl bromide (78-77-3) + hexyl-methyl-ketone (111-13-7) → rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + 5-methyl-5-undecanol (21078-80-8) + 7,8-dimethyl-7,8-tetradecanediol (41051-71-2)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; for 48h; Title compound not separated from byproducts; Heating;

DOI:10.1021/ja00528a029

upstream raw materials:

s-butyl bromide

hexyl-methyl-ketone

1-iodo-butane

t-butyl bromide