Octadecanoic acid, 2,3-bis(acetyloxy)propyl ester

Base Information

• Chemical Name: Octadecanoic acid, 2,3-bis(acetyloxy)propyl ester
• CAS No.: 33599-07-4
• Molecular Formula: C25H46O6
• Molecular Weight: 442.63
• Hs Code.: 2915390090
• NSC Number: 83201
• DSSTox Substance ID: DTXSID40274041
• Nikkaji Number: J119.024E
• Mol file: 33599-07-4.mol

Synonyms:33599-07-4;2,3-diacetyloxypropyl octadecanoate;2,3-diacetoxypropyl stearate;Octadecanoic acid, 2,3-bis(acetyloxy)propyl ester;Octadecanoic acid, 2,3-bis (acetyloxy)propyl ester;3-(STEAROYLOXY)PROPANE-1,2-DIYL DIACETATE;Stearic acid, 2,3-dihydroxypropyl ester diacetate;2,3-Diaceto-1-stearin;SCHEMBL385116;1,2-diacetyl-3-stearoylglycerol;DTXSID40274041;CHEBI:172681;WSYNAKWAAXYNMW-UHFFFAOYSA-N;2,3-Bis(acetyloxy)propyl stearate;NSC83201;Glycerol, 1-octadecanoate, diacetate;NSC 83201;NSC-83201;Stearic acid,3-dihydroxypropyl ester diacetate;1,2,3-Propanetriol 1-stearate 2,3-bisacetate;F87651;Octadecanoic acid,3-bis(acetyloxy)propyl ester

Chemical Property of Octadecanoic acid, 2,3-bis(acetyloxy)propyl ester

Chemical Property:

• PSA: 78.90000
• LogP: 6.28590
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 24
• Exact Mass: 442.32943918
• Heavy Atom Count: 31
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C

Technology Process of Octadecanoic acid, 2,3-bis(acetyloxy)propyl ester

There total 3 articles about Octadecanoic acid, 2,3-bis(acetyloxy)propyl ester 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: 63.17%

octadecanoic acid 2,3-dihydroxypropyl ester (22610-63-5,342394-34-7) + acetic anhydride (108-24-7) → 2,3-Diacetyl-1-stearoyl-sn-glycerin (33599-07-4)

Guidance literature:

With sulfuric acid; In toluene; at 110 - 120 ℃; Reagent/catalyst;

Reference yield:

octadecanoic acid 2,3-dihydroxypropyl ester (22610-63-5,342394-34-7) + acetyl chloride (75-36-5) → 2,3-Diacetyl-1-stearoyl-sn-glycerin (33599-07-4)

Guidance literature:

With pyridine; chloroform;

DOI:10.1021/ja01139a029 DOI:10.1021/j150511a016

Reference yield:

→ 2,3-Diacetyl-1-stearoyl-sn-glycerin (33599-07-4)

Guidance literature:

3-Acetyl-1-stearoyl-sn-glycerin, Acetylchlorid (in Hexan);

DOI:10.1016/0009-3084(76)90003-7

upstream raw materials:

octadecanoic acid 2,3-dihydroxypropyl ester

acetyl chloride

acetic anhydride

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