Octa-1,4-diene

Base Information

• Chemical Name: Octa-1,4-diene
• CAS No.: 5675-25-2
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• European Community (EC) Number: 227-132-3
• DSSTox Substance ID: DTXSID801317767
• Mol file: 5675-25-2.mol

Synonyms:Octa-1,4-diene;CID 123232;DTXSID801317767;FT-0635801;O0170

Chemical Property of Octa-1,4-diene

Chemical Property:

• Refractive Index: 1.4260 to 1.4290
• Boiling Point: 120.3°Cat760mmHg
• Flash Point: 13.6°C
• PSA: 0.00000
• Density: 0.738g/cm³
• LogP: 2.91880
• XLogP3: 3.3
• 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:

98%,99%, ^*data from raw suppliers

1,4-Octadiene (cis- and trans- mixture) ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 9-16-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CCC=C

Technology Process of Octa-1,4-diene

There total 4 articles about Octa-1,4-diene 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:

ethene (74-85-1) + 3-hydroxyphenyl linolenate (1608099-22-4) → (Z,E)-octa-1,4-diene (5675-25-2) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + 4-hydroxyphenyl dec-9-enoate + recorcinol (108-46-3)

Guidance literature:

With dichloro(3-phenyl-1H-inden-1-ylidene)bis(tricyclohexylphosphine)ruthenium(II); In dichloromethane; for 6h; under 6000.6 Torr; Schlenk technique; Inert atmosphere;

DOI:10.1039/c4gc00111g

Reference yield:

→ (Z,E)-octa-1,4-diene (5675-25-2)

Guidance literature:

at 550 - 560 ℃;

Reference yield:

2-chloropentanal (41718-47-2) + allylmagnesium bromide (1730-25-2) → (Z,E)-octa-1,4-diene (5675-25-2)

Guidance literature:

With lithium; Yield given. Multistep reaction; 1) ether, -60 deg C, 2) -60 deg C, 8 h;

upstream raw materials:

acetoxy-1 octene-4

2-chloropentanal

allylmagnesium bromide

ethene

Downstream raw materials:

octane

4-octene

(Z/E)-Non-5-enoic acid

Refernces

• 1、 Barluenga, Jose,Yus, Miguel,Concellon, Jose M.,Bernad, Pablo. "Synthesis of Olefins from α-Chlorocarbonyl Compounds". . p. 677 - 692. Retrieved 2007/10/02.