(3-Chloro-2-octadecanoyloxypropyl) octadecanoate

Base Information

• Chemical Name: (3-Chloro-2-octadecanoyloxypropyl) octadecanoate
• CAS No.: 72468-92-9
• Molecular Formula: C39H75 Cl O4
• Molecular Weight: 643.475
• NSC Number: 79288
• DSSTox Substance ID: DTXSID40291955
• Mol file: 72468-92-9.mol

Synonyms:72468-92-9;(3-chloro-2-octadecanoyloxypropyl) octadecanoate;rac-1,2-Distearoyl-3-chloropropanediol;3-chloropropane-1,2-diyl dioctadecanoate;Octadecanoic acid,1,1'-[1-(chloromethyl)-1,2-ethanediyl] ester;NSC79288;DTXSID40291955;3-Chloropropane-1,2-diyl distearate;NSC-79288;3-Chloro-1,2-propanediol Distearate;AKOS030242888;BP-29828;FT-0667716

Chemical Property of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate

Chemical Property:

• Vapor Pressure: 1.42E-17mmHg at 25°C
• Melting Point: 53-55°C
• Boiling Point: 665.4°Cat760mmHg
• Flash Point: 125.8°C
• PSA: 52.60000
• Density: 0.931g/cm³
• LogP: 13.20320
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 17.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 38
• Exact Mass: 642.5353886
• Heavy Atom Count: 44
• Complexity: 597

Purity/Quality:

99% ^*data from raw suppliers

rac-1,2-Distearoyl-3-chloropropanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCCCC
• Uses: New lipids in food protein hydrolyzates.

Technology Process of (3-Chloro-2-octadecanoyloxypropyl) octadecanoate

There total 3 articles about (3-Chloro-2-octadecanoyloxypropyl) octadecanoate 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:

stearic acid (57-11-4) → 1,2-distearoyl-3-chloropropanediol (72468-92-9)

Guidance literature:

With sulfuric acid; at 70 ℃;

Reference yield:

1,3-distearoylglycerol (504-40-5) → 1,2-distearoyl-3-chloropropanediol (72468-92-9)

Guidance literature:

With thionyl chloride;

Reference yield:

→ 1,2-distearoyl-3-chloropropanediol (72468-92-9)

Guidance literature:

Verb. (IX);

upstream raw materials:

1,3-distearoylglycerol

stearic acid

Downstream raw materials:

n-Octadecanal