Pentaethylbenzene

Base Information

• Chemical Name: Pentaethylbenzene
• CAS No.: 605-01-6
• Molecular Formula: C16H26
• Molecular Weight: 218.382
• European Community (EC) Number: 210-080-0
• NSC Number: 406585
• UNII: P84GL3G0O9
• DSSTox Substance ID: DTXSID3060538
• Nikkaji Number: J135.680A
• Wikidata: Q81989118
• Mol file: 605-01-6.mol

Synonyms:PENTAETHYLBENZENE;Benzene, pentaethyl-;605-01-6;1,2,3,4,5-pentaethylbenzene;Benzene, 1,2,3,4,5-pentaethyl-;P84GL3G0O9;EINECS 210-080-0;NSC 406585;NSC-406585;AI3-04220;NSC406585;UNII-P84GL3G0O9;DTXSID3060538;C(C)c1c(CC)c(CC)cc(CC)c1CC

Chemical Property of Pentaethylbenzene

Chemical Property:

• Vapor Pressure: 0.00926mmHg at 25°C
• Melting Point: -68.15°C
• Refractive Index: 1.5127
• Boiling Point: 274.1°C at 760 mmHg
• Flash Point: 115.7°C
• PSA: 0.00000
• Density: 0.861g/cm³
• LogP: 4.49860
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 218.203450829
• Heavy Atom Count: 16
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C(=C1CC)CC)CC)CC

Technology Process of Pentaethylbenzene

There total 19 articles about Pentaethylbenzene 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: 59.0%

2-hydroxy-3-butene (598-32-3) + hex-3-yne (928-49-4) → pentaethylbenzene (605-01-6)

Guidance literature:

2-hydroxy-3-butene; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; p-toluenesulfonylanhydride; triphenylphosphine; In 1,2-dichloro-ethane; at 20 ℃; for 1h;

hex-3-yne; In 1,2-dichloro-ethane; at 80 ℃; for 12h;

DOI:10.1021/jo026857r

Reference yield: 53.0%

(E)-but-2-enol (504-61-0,542-72-3) + hex-3-yne (928-49-4) → pentaethylbenzene (605-01-6)

Guidance literature:

(E)-but-2-enol; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; p-toluenesulfonylanhydride; triphenylphosphine; In 1,2-dichloro-ethane; at 20 ℃; for 1h;

hex-3-yne; In 1,2-dichloro-ethane; at 80 ℃; for 12h;

DOI:10.1021/jo026857r

Reference yield:

ethene (74-85-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → tetraethylbenzene + 1,1'-ethylidenebis-benzene (612-00-0) + ethylbenzene (100-41-4,27536-89-6) + Diphenylmethane (101-81-5) + pentaethylbenzene (605-01-6) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

zeolite BEA (beta); at 180 - 250 ℃; under 15514.9 - 51716.2 Torr; Industry scale;

upstream raw materials:

hexaethylbenzene

1,2,3-triethylbenzene

ethyl bromide

benzene

Downstream raw materials:

1,2,3,4-tetraethylbenzene

2,3,4,5-tetraethylbenzene sulfonic acid

pentaethyl-benzenesulfonic acid

1,2,4,5-tetraethyl-3,6-dinitro-benzene

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 605-01-6 PENTAETHYLBENZENE

Send

Send

Metric Ton KG G Pound L ML

Send

Send