5,5-Dimethylundecane

Base Information

• Chemical Name: 5,5-Dimethylundecane
• CAS No.: 17312-73-1
• Molecular Formula: C₁₃H₂₈
• Molecular Weight: 184.365
• Hs Code.: 2901100000
• DSSTox Substance ID: DTXSID80169528
• Nikkaji Number: J125.086H
• Wikidata: Q83039247
• Mol file: 17312-73-1.mol

Synonyms:5,5-DIMETHYLUNDECANE;Undecane, 5,5-dimethyl-;17312-73-1;5,5-Dimethylundecane #;Undecane,5,5-dimethyl-;DTXSID80169528;YQNMYOJSMPRRMP-UHFFFAOYSA-N

Chemical Property of 5,5-Dimethylundecane

Chemical Property:

• Vapor Pressure: 0.179mmHg at 25°C
• Boiling Point: 219.1°Cat760mmHg
• Flash Point: 82.7°C
• PSA: 0.00000
• Density: 0.758g/cm³
• LogP: 5.17320
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 184.219100893
• Heavy Atom Count: 13
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCC(C)(C)CCCC

Technology Process of 5,5-Dimethylundecane

There total 3 articles about 5,5-Dimethylundecane 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:

n-butyl magnesium bromide (693-03-8) + 2-chloro-2-methyloctane (928-60-9) → 5,5-Dimethyl-undecan (17312-73-1)

Guidance literature:

With diethyl ether; mercury dichloride;

Reference yield:

2-methyl-2-octanol (628-44-4) → 5,5-Dimethyl-undecan (17312-73-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen chloride

2: diethyl ether; mercury (II)-chloride

With hydrogenchloride; diethyl ether; mercury dichloride;

Reference yield:

n-hexylmagnesium bromide (3761-92-0) → 5,5-Dimethyl-undecan (17312-73-1)

Guidance literature:

Multi-step reaction with 3 steps

2: hydrogen chloride

3: diethyl ether; mercury (II)-chloride

With hydrogenchloride; diethyl ether; mercury dichloride;

upstream raw materials:

n-butyl magnesium bromide

2-chloro-2-methyloctane

2-methyl-2-octanol

n-hexylmagnesium bromide