Undecane, 2-methyl-2-phenyl-

Base Information

• Chemical Name: Undecane, 2-methyl-2-phenyl-
• CAS No.: 27854-40-6
• Molecular Formula: C18H30
• Molecular Weight: 246.43100
• DSSTox Substance ID: DTXSID90880696
• Nikkaji Number: J102.857J
• Mol file: 27854-40-6.mol

Synonyms:Undecane, 2-methyl-2-phenyl-;Benzene, (1,1-dimethyldecyl)-;(1,1-Dimethyldecyl)benzene;2-phenyl-2-methylundecane;DTXSID90880696

Chemical Property of Undecane, 2-methyl-2-phenyl-

Chemical Property:

• Boiling Point: 123 °C (1 mmHg)
• PSA: 0.00000
• Density: 0.855±0.06 g/cm3(Predicted)
• LogP: 6.10490
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 246.234750957
• Heavy Atom Count: 18
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(C)(C)C1=CC=CC=C1

Technology Process of Undecane, 2-methyl-2-phenyl-

There total 1 articles about Undecane, 2-methyl-2-phenyl- 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:

Octanal (124-13-0) + 2-methyl-2-phenyl-1-propylmagnesium chloride (35293-35-7) → 2-Methyl-2-phenyl-undecan (27854-40-6)

Guidance literature:

Multistep reaction; (i), (ii) KHSO₄, (iii) H₂, Pd-C;

DOI:10.1021/jo01060a050

Reference yield:

2-Methyl-2-phenyl-undecan (27854-40-6) → p-(1,1-Dimethyldecyl)-benzolsulfonsaeure (24271-16-7)

Guidance literature:

With sulfuric acid; sulfur trioxide;

DOI:10.1021/jo01060a050

upstream raw materials:

Octanal

2-methyl-2-phenyl-1-propylmagnesium chloride

Downstream raw materials:

p-(1,1-Dimethyldecyl)-benzolsulfonsaeure