CID 12644163

Base Information

• Chemical Name: CID 12644163
• CAS No.: 38872-36-5
• Molecular Formula: C15H32O3
• Molecular Weight: 260.417
• Hs Code.: 2909199090
• DSSTox Substance ID: DTXSID50885763
• Nikkaji Number: J422.400K
• Mol file: 38872-36-5.mol

Synonyms:Nonane, 1,1,3-triethoxy-;38872-36-5;DTXSID50885763

Chemical Property of CID 12644163

Chemical Property:

• Vapor Pressure: 0.000746mmHg at 25°C
• Boiling Point: 316.8°Cat760mmHg
• Flash Point: 120.5°C
• PSA: 27.69000
• Density: 0.879g/cm³
• LogP: 4.15110
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 260.23514488
• Heavy Atom Count: 18
• Complexity: 156

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC(OCC)OCC)OCC

Technology Process of CID 12644163

There total 2 articles about CID 12644163 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:

1,1-diethoxyheptane (688-82-4) + ethyl vinyl ether (109-92-2,25104-37-4) → 1,1,3-triethoxy-nonane (38872-36-5)

Guidance literature:

With iron(III) chloride;

Reference yield:

→ 1,1,3-triethoxy-nonane (38872-36-5)

Guidance literature:

Reference yield: 75.0%

1,1,3-triethoxy-nonane (38872-36-5) → (E)-2-Nonenal (18829-56-6)

Guidance literature:

With formic acid; sodium formate; In water; for 2h; Heating;

DOI:10.1055/s-1981-29364

upstream raw materials:

1,1-diethoxyheptane

ethyl vinyl ether

Downstream raw materials:

non-2-enal

(E)-2-Nonenal

1,1-diethoxy-non-2-ene