6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-

Base Information

• Chemical Name: 6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-
• CAS No.: 55255-73-7
• Molecular Formula: C₂₈H₅₆
• Molecular Weight: 392.753
• Hs Code.: 2901299090
• NSC Number: 169761
• DSSTox Substance ID: DTXSID00305209
• Nikkaji Number: J145.390D
• Mol file: 55255-73-7.mol

Synonyms:55255-73-7;6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-;2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)-6-tridecene;NSC169761;2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)tridec-6-ene;DTXSID00305209;NWNPVUYOZGIYLE-UHFFFAOYSA-N;NSC-169761;2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)-6-tridecene;6-Tridecene,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-

Chemical Property of 6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-

Chemical Property:

• Vapor Pressure: 1.68E-07mmHg at 25°C
• Melting Point: 37.5°C (estimate)
• Refractive Index: 1.4527 (estimate)
• Boiling Point: 439.2°Cat760mmHg
• Flash Point: 157.2°C
• PSA: 0.00000
• Density: 0.809g/cm³
• LogP: 10.08020
• XLogP3: 12.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 392.438201786
• Heavy Atom Count: 28
• Complexity: 404

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-

There total 5 articles about 6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)- 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:

2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethyl-hexyl)-tridecan-7-ol (857078-64-9) → 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethyl-hexyl)-tridec-6-ene (55255-73-7)

Guidance literature:

With iodine; at 200 ℃;

DOI:10.1039/jr9510002064

Reference yield:

isononanol (3452-97-9,140237-84-9,140237-85-0) → 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethyl-hexyl)-tridec-6-ene (55255-73-7)

Guidance literature:

Multi-step reaction with 5 steps

1: pyridine; thionyl chloride

2: aqueous ethanol

3: aq.-ethanolic NaOH-solution

4: diethyl ether

5: iodine / 200 °C

With pyridine; sodium hydroxide; thionyl chloride; diethyl ether; ethanol; iodine;

DOI:10.1039/jr9510002064

Reference yield:

4,6,6-trimethyl-heptanenitrile (2570-95-8) → 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethyl-hexyl)-tridec-6-ene (55255-73-7)

Guidance literature:

Multi-step reaction with 3 steps

1: aq.-ethanolic NaOH-solution

2: diethyl ether

3: iodine / 200 °C

With sodium hydroxide; diethyl ether; iodine;

DOI:10.1039/jr9510002064

upstream raw materials:

2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethyl-hexyl)-tridecan-7-ol

isononanol

4,6,6-trimethyl-heptanenitrile

4,6,6-trimethylheptanoic acid