1,1,3-Triethoxyheptane

Base Information

• Chemical Name: 1,1,3-Triethoxyheptane
• CAS No.: 54305-97-4
• Molecular Formula: C13H28 O3
• Molecular Weight: 232.364
• Hs Code.: 2909199090
• European Community (EC) Number: 259-083-9
• DSSTox Substance ID: DTXSID10886094
• Nikkaji Number: J266.856D
• Mol file: 54305-97-4.mol

Synonyms:1,1,3-Triethoxyheptane;Heptane, 1,1,3-triethoxy-;54305-97-4;EINECS 259-083-9;DTXSID10886094

Chemical Property of 1,1,3-Triethoxyheptane

Chemical Property:

• Vapor Pressure: 0.00581mmHg at 25°C
• Boiling Point: 282.2°C at 760 mmHg
• Flash Point: 105°C
• PSA: 27.69000
• Density: 0.883g/cm³
• LogP: 3.37090
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 232.20384475
• Heavy Atom Count: 16
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,3-Triethoxyheptane

There total 1 articles about 1,1,3-Triethoxyheptane 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-diethoxypentane (3658-79-5) + ethyl vinyl ether (109-92-2,25104-37-4) → 1,1,3-triethoxy-heptane (54305-97-4)

Guidance literature:

With iron(III) chloride;

Reference yield:

1,1,3-triethoxy-heptane (54305-97-4) → 3-Butyl-acrolein (2463-63-0)

Guidance literature:

With ammonium dihydrogen phosphate;

Reference yield:

1,1,3-triethoxy-heptane (54305-97-4) → 1,1-diethoxy-hept-2-ene (20810-22-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 4>H₂PO₄

2: aq. H₃PO₄ / ethanol

With ammonium dihydrogen phosphate; phosphoric acid; In ethanol;

upstream raw materials:

1,1-diethoxypentane

ethyl vinyl ether

Downstream raw materials:

3-Butyl-acrolein

trans,trans-2,4-nonadienal

1,1-diethoxy-hept-2-ene