1,6-Octadiene

Base Information

• Chemical Name: 1,6-Octadiene
• CAS No.: 3710-41-6
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• Hs Code.: 2901299090
• European Community (EC) Number: 688-506-3
• Nikkaji Number: J121.109I,J110.380F
• Mol file: 3710-41-6.mol

Synonyms:1,6-OCTADIENE;3710-41-6;(6E)-octa-1,6-diene;1,6-Octadiene, (E)-;(6E)-1,6-Octadiene;1,trans-6-octadiene;(e)-1,6-octadiene;RJUCIROUEDJQIB-GQCTYLIASA-N;19036-81-8;AKOS006272125

Chemical Property of 1,6-Octadiene

Chemical Property:

• Vapor Pressure: 17.2mmHg at 25°C
• Boiling Point: 121.8°Cat760mmHg
• Flash Point: 14.3°C
• PSA: 0.00000
• Density: 0.738g/cm³
• LogP: 2.91880
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 70.1

Purity/Quality:

99%min ^*data from raw suppliers

1,6-OCTADIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCCC=C
• Isomeric SMILES: C/C=C/CCCC=C

Technology Process of 1,6-Octadiene

There total 10 articles about 1,6-Octadiene 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:

2,7-octadienyl formate (39252-64-7) → 1,6-octadiene (3710-41-6) + 1,7-Octadiene (3710-30-3)

Guidance literature:

With Tri-n-octylamine; palladium diacetate; tricyclohexylphosphine; In diethylene glycol dimethyl ether; o-xylene; at 120 ℃; for 204h; under 300.03 Torr; Pressure; Reagent/catalyst; Solvent; Concentration; Overall yield = 94.9%; Flow reactor; Large scale;

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,6-octadiene (3710-41-6) + 1,7-Octadiene (3710-30-3)

Guidance literature:

buta-1,3-diene; With TEMPOL; sodium methylate; palladium diacetate; In 1-methyl-pyrrolidin-2-one; at -5 - 75 ℃; under 7500.75 Torr; Inert atmosphere;

With formic acid; In 1-methyl-pyrrolidin-2-one; at 80 - 90 ℃; under 15001.5 Torr; Product distribution / selectivity; Inert atmosphere;

Reference yield:

formic acid (64-18-6) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,6-octadiene (3710-41-6) + 1,7-Octadiene (3710-30-3)

Guidance literature:

With triethylamine; palladium diacetate; triphenylphosphine; In DMF (N,N-dimethyl-formamide); at 90 ℃; for 1.5 - 2h; under 7500.75 Torr; Product distribution / selectivity;

upstream raw materials:

(E)-1-phenoxy-2,7-octadiene

3-Phenoxy-1,7-octadien

octa-1,7-dien-3-yl acetate

(E)-1-acetoxy-2,7-octadiene

Refernces

• 1、 -. "METHOD FOR PRODUCING DIENES BY HYDRODIMERIZATION". Page/Page column 8-9. . Retrieved 2009/12/05.
• 2、 -. "PROCESS FOR THE PREPARATION OF 1-OCTENE". Page/Page column 13-14. . Retrieved 2008/06/13.