Octadecylsuccinic acid

Base Information

• Chemical Name: Octadecylsuccinic acid
• CAS No.: 5693-14-1
• Molecular Formula: C22H42 O4
• Molecular Weight: 370.573
• European Community (EC) Number: 227-161-1
• DSSTox Substance ID: DTXSID10972365
• Nikkaji Number: J225.095K
• Mol file: 5693-14-1.mol

Synonyms:Octadecylsuccinic acid;2-octadecylbutanedioic acid;5693-14-1;n-octadecylsuccinic acid;EINECS 227-161-1;monostearyl succinic acid;Butanedioic acid, octadecyl-;SCHEMBL337797;DTXSID10972365

Chemical Property of Octadecylsuccinic acid

Chemical Property:

• Vapor Pressure: 1.48E-10mmHg at 25°C
• Melting Point: 99-101°C
• Boiling Point: 480.6°Cat760mmHg
• PKA: 4.55±0.19(Predicted)
• Flash Point: 258.6°C
• PSA: 74.60000
• Density: 0.971g/cm³
• LogP: 6.81350
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 370.30830982
• Heavy Atom Count: 26
• Complexity: 341

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)O

Technology Process of Octadecylsuccinic acid

There total 3 articles about Octadecylsuccinic 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:

2-n-octadecylsuccinic anhydride (47458-32-2) → octadecyl-succinic acid (5693-14-1)

Guidance literature:

With potassium hydroxide;

Reference yield:

Methyl-3-methoxycarbonyluneikosanoat (29306-82-9) → octadecyl-succinic acid (5693-14-1)

Guidance literature:

With potassium hydroxide;

Reference yield:

octadec-1-ene (112-88-9) → octadecyl-succinic acid (5693-14-1)

Guidance literature:

Multi-step reaction with 2 steps

1: tBu₂O₂ / 140 - 145 °C

2: aq. KOH

With potassium hydroxide; di-tert-butyl peroxide;

upstream raw materials:

2-n-octadecylsuccinic anhydride

Methyl-3-methoxycarbonyluneikosanoat

octadec-1-ene

Refernces