6,6-Dimethylundecane

Base Information

• Chemical Name: 6,6-Dimethylundecane
• CAS No.: 17312-76-4
• Molecular Formula: C13H28
• Molecular Weight: 184.3614
• European Community (EC) Number: 925-719-5
• DSSTox Substance ID: DTXSID40169529
• Nikkaji Number: J125.209G
• Wikidata: Q83039248
• Mol file: 17312-76-4.mol

Synonyms:6,6-Dimethylundecane;17312-76-4;Undecane, 6,6-dimethyl-;6,6'-DIMETHYLUNDECANE;dimethylundecane;6,6-dimethyl-undecane;6,6-Dimethylundecane #;DTXSID40169529

Chemical Property of 6,6-Dimethylundecane

Chemical Property:

• Vapor Pressure: 0.196mmHg at 25°C
• Boiling Point: 217.4°Cat760mmHg
• Flash Point: 81.8°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: 90.6

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: CCCCCC(C)(C)CCCCC

Technology Process of 6,6-Dimethylundecane

There total 5 articles about 6,6-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: 60.8%

2-methyl-5-(2-(5-methylfuran-2-yl)propan-2-yl)furan (59212-75-8) → 5,5-Dimethylundecan (17312-76-4) + 6-butyl-undecane

Guidance literature:

With hydrogen; In cyclohexane; at 170 ℃; for 12h; under 37503.8 Torr;

DOI:10.1002/cssc.201700863

Reference yield:

2-methyl-5-(2-(5-methylfuran-2-yl)propan-2-yl)furan (59212-75-8) → 5,5-Dimethylundecan (17312-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 5%-palladium/activated carbon; hydrogen / methanol / 30 h / 139.84 °C / 45004.5 Torr

2: hydrogen / 349.84 °C

With 5%-palladium/activated carbon; hydrogen; In methanol;

DOI:10.1002/cssc.201200228

Reference yield:

2-methylfuran (534-22-5) → 5,5-Dimethylundecan (17312-76-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Nafion 212 resin / 2 h / 49.84 °C

2: 5%-palladium/activated carbon; hydrogen / methanol / 30 h / 139.84 °C / 45004.5 Torr

3: hydrogen / 349.84 °C

With 5%-palladium/activated carbon; hydrogen; In methanol;

DOI:10.1002/cssc.201200228

upstream raw materials:

2-methyl-5-(2-(5-methylfuran-2-yl)propan-2-yl)furan

2,2-bis(5-methyl-2-oxolanyl)propane

2-methylfuran

Refernces

• 1、 Li, Guangyi,Li, Ning,Wang, Zhiqiang,Li, Changzhi,Wang, Aiqin,Wang, Xiaodong,Cong, Yu,Zhang, Tao. "Synthesis of high-quality diesel with furfural and 2-methylfuran from hemicellulose". . p. 1958 - 1966. Retrieved 2012.