Triisobutylene

Base Information

• Chemical Name: Triisobutylene
• CAS No.: 39761-68-7
• Molecular Formula: C12H24
• Molecular Weight: 168.323
• European Community (EC) Number: 254-621-9
• UN Number: 2324
• UNII: 1BM6W5KS4L
• DSSTox Substance ID: DTXSID8052514
• Nikkaji Number: J261.441C
• Wikidata: Q27252203
• Mol file: 39761-68-7.mol

Synonyms:TRIISOBUTYLENE;7756-94-7;2,4,4,6,6-Pentamethylhept-2-ene;2,4,4,6,6-pentamethyl-2-heptene;39761-68-7;2-Methyl propyl radical;EINECS 254-621-9;2-Heptene, 2,4,4,6,6-pentamethyl-;UNII-1BM6W5KS4L;1BM6W5KS4L;Triisobutylen;TRIISOBUTYLENE, TECH.;DTXSID8052514;AKOS006343533;FT-0694439;Q27252203

Chemical Property of Triisobutylene

Chemical Property:

• Vapor Pressure: 0.672mmHg at 25°C
• Boiling Point: 192.7°C at 760 mmHg
• Flash Point: 47.1°C
• PSA: 0.00000
• Density: 0.764g/cm³
• LogP: 4.41500
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 168.187800766
• Heavy Atom Count: 12
• Complexity: 161
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Triisobutylene

There total 2 articles about Triisobutylene 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:

isobutene (115-11-7,15220-85-6) → 2,4,4-trimethyl-1-pentene (107-39-1) + 2,4,4,6,6-pentamethyl-1-heptene (14031-86-8) + 2,4,4-trimethylpent-2-ene (107-40-4) + 2,4,4,6,6-pentamethyl-hept-2-ene (39761-68-7) + 2,4,4,6,6,8,8-heptamethyl-1-nonene (15796-04-0) + 2,4,4,6,6,8,8-heptamethyl-2-nonene (39761-73-4)

Guidance literature:

H-SUZ-4; In butane,n-; at 70 ℃; for 20h; Product distribution / selectivity;

Reference yield:

→ 2,4,4,6,6-pentamethyl-hept-2-ene (39761-68-7)

Guidance literature:

Isobutylen beim Leiten ueber CuSO4*HCl;

Reference yield:

2,4,4,6,6-pentamethyl-1-heptene (14031-86-8) + 2,4,4,6,6-pentamethyl-hept-2-ene (39761-68-7) → 2,2,4,4,6-Pentamethylheptan (62199-62-6)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In cyclohexane; at 100 ℃; for 1h; under 7600.51 Torr; Product distribution / selectivity;

upstream raw materials:

isobutene

Downstream raw materials:

2,2,4,4,6-Pentamethylheptan

Refernces

• 1、 -. "PREPARING METHOD OF LIGHT OLEFIN TRIMERS AND PRODUCTION OF HEAVY ALKYLATES BY USING THEREOF". Page/Page column 18. . Retrieved 2008/06/13.