1,4-Didecylbenzene

Base Information

• Chemical Name: 1,4-Didecylbenzene
• CAS No.: 2655-95-0
• Molecular Formula: C26H46
• Molecular Weight: 358.651
• Hs Code.: 2902909090
• NSC Number: 166269
• DSSTox Substance ID: DTXSID40304554
• Nikkaji Number: J104.852J
• Wikidata: Q82050550
• Mol file: 2655-95-0.mol

Synonyms:1,4-Didecylbenzene;Benzene, p-didecyl-;Benzene, 1,4-didecyl-;2655-95-0;1,4-Di-n-decylbenzene;Benzene,4-didecyl-;NSC166269;1,4-Didecylbenzene #;DTXSID40304554;NSC-166269

Chemical Property of 1,4-Didecylbenzene

Chemical Property:

• Vapor Pressure: 7.14E-08mmHg at 25°C
• Melting Point: 20.3°C (estimate)
• Refractive Index: 1.4844 (estimate)
• Boiling Point: 450.2°Cat760mmHg
• Flash Point: 226.3°C
• PSA: 0.00000
• Density: 0.855g/cm³
• LogP: 9.05300
• XLogP3: 12.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 358.359951467
• Heavy Atom Count: 26
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC1=CC=C(C=C1)CCCCCCCCCC

Technology Process of 1,4-Didecylbenzene

There total 7 articles about 1,4-Didecylbenzene 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:

1-(4-Octyl-phenyl)-dodecanon-(1) (2655-89-2) → 1,4-bis-decyl-benzene (2655-95-0)

Guidance literature:

With hydrogen; palladium on barium sulfate; In acetic acid;

Reference yield:

n-dodecanoyl chloride (112-16-3) → 1,4-bis-decyl-benzene (2655-95-0)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CCl₄

2: H₂ / Pd-BaSO₄ / acetic acid

With aluminium trichloride; hydrogen; palladium on barium sulfate; In tetrachloromethane; acetic acid;

Reference yield:

1-bromo dodecane (112-29-8) + 1.4-dibromobenzene (106-37-6) → 1,4-bis-decyl-benzene (2655-95-0)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; magnesium; Yield given; Multistep reaction; 1.) ether, reflux, 0.5 h, 2.) ether, reflux, overnight;

DOI:10.1021/ja9825130

upstream raw materials:

decylbenzene

1-(4-Octyl-phenyl)-dodecanon-⁽¹⁾

terephthalaldehyde,

nonylmagnesium iodide

Downstream raw materials:

trans-1,4-didecyl-cyclohexane

cis-1,4-didecyl-cyclohexane

1,4-bis-decyl-2,5-diiodo-benzene

1,4-dibromo-2,5-didecylbenzene