[3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate

Base Information

• Chemical Name: [3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
• CAS No.: 69161-73-5
• Molecular Formula: C39H71ClO4
• Molecular Weight: 639.4316
• Mol file: 69161-73-5.mol

Synonyms:[3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate;1-(Chloromethyl)-1,2-ethanediyl (Z)-9-octadecenoate;69161-73-5;9-Octadecenoic acid, (Z)-, 1-(chloromethyl)-1,2-ethanediyl ester

Chemical Property of [3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate

Chemical Property:

• Boiling Point: 666.9°Cat760mmHg
• Flash Point: 130.1°C
• PSA: 52.60000
• Density: 0.942g/cm³
• LogP: 12.75520
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 15.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 36
• Exact Mass: 638.5040884
• Heavy Atom Count: 44
• Complexity: 675

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCC/C=C\CCCCCCCC
• Uses: New lipids in food protein hydrolyzates. Fatty acid esters of chloropropanediol isolated from fresh goat milk. New lipids in food protein hydrolyzates.

Technology Process of [3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate

There total 3 articles about [3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate 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: 96.0%

(Z)-9-octadecenoyl chloride (112-77-6) + 1-oleoyl-3-chloro-1,2-propanediol (10311-82-7) → 1,2-di-oleoyl-3-chloropropanediol (69161-73-5,103667-51-2)

Guidance literature:

With dmap; tetrabutylammonium trifluoroacetate; In chloroform; at 20 ℃; for 0.25h;

DOI:10.1039/b915533c

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) + 3-monochloro-1,2-propanediol (96-24-2) → 1,2-di-oleoyl-3-chloropropanediol (69161-73-5,103667-51-2)

Guidance literature:

With Novozym 435; at 45 ℃; for 65h; under 5 Torr; Enzymatic reaction;

DOI:10.1007/s11746-010-1732-5

Reference yield:

→ 1,2-di-oleoyl-3-chloropropanediol (69161-73-5,103667-51-2)

Guidance literature:

3-Chlor-1,2-propandiol, Oelsaeure (Veresterung);

DOI:10.1016/0009-3084(78)90020-8

upstream raw materials:

(Z)-9-octadecenoyl chloride

1-oleoyl-3-chloro-1,2-propanediol

cis-Octadecenoic acid

3-monochloro-1,2-propanediol

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