(3-Chloro-2-hexadecanoyloxypropyl) hexadecanoate

Base Information

• Chemical Name: (3-Chloro-2-hexadecanoyloxypropyl) hexadecanoate
• CAS No.: 51930-97-3
• Molecular Formula: C₃₅H₆₇ClO₄
• Molecular Weight: 587.368
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID20966255
• Nikkaji Number: J2.931.590F
• Mol file: 51930-97-3.mol

Synonyms:51930-97-3;rac 1,2-Bis-palmitol-3-chloropropanediol;(3-chloro-2-hexadecanoyloxypropyl) hexadecanoate;rac 1,2-Bis-palmitoyl-3-chloropropanediol;3-Chloropropane-1,2-diol dipalmitate;1-(2-Chloromethyl)-1,2-ethanediyl hexadecanoate;Hexadecanoic acid, 1-(2-chloromethyl)-1,2-ethanediyl ester;1185057-55-9;3-Chloropropane-1,2-diol Dipalmiate;C35H67ClO4;C35-H67-Cl-O4;DTXSID20966255;3-Chloropropane-1,2-diyldipalmitate;3-Chloro-1,2-propanediol Dipalmitate;3-Chloropropane-1,2-diyl dipalmitate;AKOS030255822;3-Chloropropane-1,2-diyl dihexadecanoate;BP-29810;FT-0663360;FT-0663361;1,2-Bis-palmitoyl-3-chloropropane-1,2-diol;Hexadecanoic Acid 1,1'-[1-Chloromethyl)-1,2-ethanediyl] Ester

Chemical Property of (3-Chloro-2-hexadecanoyloxypropyl) hexadecanoate

Chemical Property:

• Vapor Pressure: 1.7E-15mmHg at 25°C
• Melting Point: 62-640C
• Boiling Point: 624.1°Cat760mmHg
• Flash Point: 130.7°C
• PSA: 52.60000
• Density: 0.939g/cm³
• LogP: 11.64280
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 15.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 34
• Exact Mass: 586.4727883
• Heavy Atom Count: 40
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCC
• Uses: A fatty acid esters of 3-chloropropane-1,2-diol 1,2-Bis-palmitoyl-3-chloropropanediol is a fatty acid ester with glycerol chlorohydrins found in a variety of vegetable oils.

Technology Process of (3-Chloro-2-hexadecanoyloxypropyl) hexadecanoate

There total 4 articles about (3-Chloro-2-hexadecanoyloxypropyl) hexadecanoate 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: 64.0%

3-monochloro-1,2-propanediol (96-24-2) + n-hexadecanoyl chloride (112-67-4) → 3?monochloropropane 1,2-diol dipalmitate (51930-97-3) + 1-palmitoyl-3-chloro-1,2-propanediol (30557-04-1) + rac-2-palmitoyl-3-chloropropanediol (20618-92-2)

Guidance literature:

With pyridine; at 20 ℃; for 2h;

DOI:10.1007/s11746-011-1802-3

Reference yield:

→ 3?monochloropropane 1,2-diol dipalmitate (51930-97-3)

Guidance literature:

With thionyl chloride;

Reference yield:

1-hexadecylcarboxylic acid (57-10-3) → 3?monochloropropane 1,2-diol dipalmitate (51930-97-3)

Guidance literature:

at 60 - 70 ℃;

upstream raw materials:

1-hexadecylcarboxylic acid

3-monochloro-1,2-propanediol

n-hexadecanoyl chloride

Downstream raw materials:

4-Hexadecylamino-benzoic acid 2,3-bis-hexadecanoyloxy-propyl ester

Refernces