Di-n-octadecyl sebacate

Base Information

• Chemical Name: Di-n-octadecyl sebacate
• CAS No.: 3072-03-5
• Molecular Formula: C46H90O4
• Molecular Weight: 707.2044
• UNII: KI7V37U79O
• DSSTox Substance ID: DTXSID30184746
• Nikkaji Number: J185.695B
• Wikidata: Q27894144
• Mol file: 3072-03-5.mol

Synonyms:Di-n-octadecyl sebacate;distearyl sebacate;KI7V37U79O;3072-03-5;dioctadecyl sebacate;UNII-KI7V37U79O;SCHEMBL1996887;decanedioic acid dioctadecyl ester;DTXSID30184746;DECANEDIOIC ACID, 1,10-DIOCTADECYL ESTER;Q27894144

Chemical Property of Di-n-octadecyl sebacate

Chemical Property:

• Vapor Pressure: 1.01E-15mmHg at 25°C
• Boiling Point: 628.7°C at 760 mmHg
• Flash Point: 283.8°C
• Density: 0.889g/cm³
• XLogP3: 20.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 45
• Exact Mass: 706.68391135
• Heavy Atom Count: 50
• Complexity: 607

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC

Technology Process of Di-n-octadecyl sebacate

There total 4 articles about Di-n-octadecyl sebacate 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: 84.0%

1-octadecanol (112-92-5) + dimethyl sebacate (106-79-6) → Sebacinsaeure-dioctadecylester (3072-03-5)

Guidance literature:

With 1-hexadecyl-3-sulfo-1H-imidazol-3-ium chloride; In neat (no solvent); at 110 ℃; for 16h; Green chemistry;

DOI:10.3906/kim-1811-44

Reference yield: 70.0%

1,10-decanedioic acid (111-20-6,26776-29-4) + 1-octadecanol (112-92-5) → Sebacinsaeure-dioctadecylester (3072-03-5)

Guidance literature:

With 1-hexadecyl-3-sulfo-1H-imidazol-3-ium chloride; In neat (no solvent); at 110 ℃; for 16h; Green chemistry;

DOI:10.3906/kim-1811-44

Reference yield:

1-octadecanol (112-92-5) + sebacoyl chloride (111-19-3) → Sebacinsaeure-dioctadecylester (3072-03-5)

Guidance literature:

With pyridine; In toluene;

DOI:10.1021/j100367a077

upstream raw materials:

1,10-decanedioic acid

1-octadecanol

sebacoyl chloride

dimethyl sebacate

Refernces

• 1、 Kishore, K.,Shobha, H. K.,Mattamal, G. J.. "Structural Effects on the Vaporization of High Molecular Weight Esters". . p. 1642 - 1648. Retrieved 2007/10/02.