2-Octylundecanedioic acid

Base Information

• Chemical Name: 2-Octylundecanedioic acid
• CAS No.: 4124-87-2
• Molecular Formula: C19H36O4
• Molecular Weight: 328.492
• Hs Code.: 2917190090
• European Community (EC) Number: 223-931-6
• DSSTox Substance ID: DTXSID50960549
• Nikkaji Number: J224.937E
• Mol file: 4124-87-2.mol

Synonyms:2-Octylundecanedioic acid;4124-87-2;EINECS 223-931-6;40099-65-8;10-carboxystearic acid;SCHEMBL353455;DTXSID50960549

Chemical Property of 2-Octylundecanedioic acid

Chemical Property:

• Vapor Pressure: 7.51E-11mmHg at 25°C
• Boiling Point: 487.8°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 262.9°C
• PSA: 74.60000
• Density: 0.99g/cm³
• LogP: 5.64320
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 328.26135963
• Heavy Atom Count: 23
• Complexity: 302

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(CCCCCCCCC(=O)O)C(=O)O

Technology Process of 2-Octylundecanedioic acid

There total 3 articles about 2-Octylundecanedioic 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:

10-Carbamoyl-octadecansaeure (4165-01-9) → 2-octylundecanedioic acid (4124-87-2)

Guidance literature:

With potassium hydroxide; In ethylene glycol;

DOI:10.1021/jo01021a023

Reference yield:

2-Octyl-undecanedioic acid diamide → 2-octylundecanedioic acid (4124-87-2)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol

2: KOH / ethane-1,2-diol

With potassium hydroxide; In ethanol; ethylene glycol;

DOI:10.1021/jo01021a023

Reference yield:

→ 2-octylundecanedioic acid (4124-87-2)

Guidance literature:

entspr. Nylon-Salz, HCl;

DOI:10.1007/BF02909072

upstream raw materials:

10-Carbamoyl-octadecansaeure