3-Octylhexanedioic acid

Base Information

• Chemical Name: 3-Octylhexanedioic acid
• CAS No.: 83797-33-5
• Molecular Formula: C14H26O4
• Molecular Weight: 258.358
• DSSTox Substance ID: DTXSID20512837
• Mol file: 83797-33-5.mol

Synonyms:3-octyladipic acid;3-OCTYLHEXANEDIOIC ACID;83797-33-5;SCHEMBL1768763;DTXSID20512837

Chemical Property of 3-Octylhexanedioic acid

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(CCC(=O)O)CC(=O)O

Technology Process of 3-Octylhexanedioic acid

There total 2 articles about 3-Octylhexanedioic acid 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:

p-Octylphenol (1806-26-4) → 3-octyladipic acid (83797-33-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / Ni-Al-Ti alloy / dioxane / 1.17 h / 165 °C / 45003.6 Torr

2: aq. 56percent HNO₃, ammonium metavanadate / 1 h / 95 - 100 °C

With ammonium vanadate; hydrogen; nitric acid; nickel-titanium-aluminum; In 1,4-dioxane;

Reference yield:

4-octylhexanol (6814-22-8) → 3-octyladipic acid (83797-33-5)

Guidance literature:

With ammonium vanadate; nitric acid; at 95 - 100 ℃; for 1h; Further byproducts given. Yields of byproduct given;

upstream raw materials:

4-octylhexanol

p-Octylphenol

Refernces