Hexadec-8-enal

Base Information

• Chemical Name: Hexadec-8-enal
• CAS No.: 76261-03-5
• Molecular Formula: C16H30O
• Molecular Weight: 238.414
• DSSTox Substance ID: DTXSID30706149
• Mol file: 76261-03-5.mol

Synonyms:HEXADEC-8-ENAL;76261-03-5;DTXSID30706149

Chemical Property of Hexadec-8-enal

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 238.229665576
• Heavy Atom Count: 17
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC=CCCCCCCC=O

Technology Process of Hexadec-8-enal

There total 2 articles about Hexadec-8-enal 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: 71.0%

Octanal (124-13-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-(1-cyclohexenyl)cyclohexanone (1502-22-3) + 2-hexyl-2-decanal (76261-03-5) + (E)-2-octylidenecyclohexan-1-one (72927-86-7)

Guidance literature:

With bis(cyclopentadienyl)dihydrozirconium; Product distribution; var. metal complexes and Lewis acids;

DOI:10.1021/jo00387a025

Reference yield:

Octanal (124-13-0) → 2-(1-cyclohexenyl)cyclohexanone (1502-22-3) + 2-hexyl-2-decanal (76261-03-5) + (E)-2-octylidenecyclohexan-1-one (72927-86-7)

Guidance literature:

With bis(cyclopentadienyl)dihydrozirconium; cyclohexanone; nickel dichloride; at 130 ℃; for 8h;

DOI:10.1021/jo00387a025

upstream raw materials:

Octanal

cyclohexanone

Refernces