1,3-Propanediyl dioleate

Base Information

• Chemical Name: 1,3-Propanediyl dioleate
• CAS No.: 821-69-2
• Deprecated CAS: 1401240-38-7,1492003-56-1
• Molecular Formula: C39H72O4
• Molecular Weight: 604.998
• European Community (EC) Number: 212-481-6
• DSSTox Substance ID: DTXSID301246199
• Nikkaji Number: J193.216K
• Mol file: 821-69-2.mol

Synonyms:1,3-Propanediyl dioleate;821-69-2;9-Octadecenoic acid (Z)-, 1,3-propanediyl ester;EINECS 212-481-6;9-Octadecenoic acid (9Z)-, 1,3-propanediyl ester;9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester;SCHEMBL24562862;DTXSID301246199;1,1'-(1,3-Propanediyl) di-(9Z)-9-octadecenoate;9-Octadecenoic acid, 1,3-propanediyl ester, (Z)-;Bis[(Z)-9-octadecenoic acid]1,3-propanediyl ester

Chemical Property of 1,3-Propanediyl dioleate

Chemical Property:

• Vapor Pressure: 1.2E-16mmHg at 25°C
• Boiling Point: 647.4°C at 760 mmHg
• Flash Point: 306.4°C
• PSA: 52.60000
• Density: 0.907g/cm³
• LogP: 12.53790
• XLogP3: 15.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 36
• Exact Mass: 604.54306077
• Heavy Atom Count: 43
• Complexity: 585

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C\CCCCCCCC

Technology Process of 1,3-Propanediyl dioleate

There total 3 articles about 1,3-Propanediyl dioleate 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: 93.0%

(Z)-9-octadecenoyl chloride (112-77-6) + trimethyleneglycol (504-63-2) → 3-[(Z)-octadec-9-enoyl]oxypropyl-(Z)-octadec-9-enoate (821-69-2)

Guidance literature:

With pyridine; In chloroform; at 20 ℃; Inert atmosphere;

DOI:10.1007/s11746-013-2376-z

Reference yield: 88.0%

cis-Octadecenoic acid (112-80-1,2027-47-6) + trimethyleneglycol (504-63-2) → 3-[(Z)-octadec-9-enoyl]oxypropyl-(Z)-octadec-9-enoate (821-69-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.1016/j.polymer.2011.08.002

Reference yield:

(Z)-9-octadecenoyl chloride (112-77-6) + trimethyleneglycol (504-63-2) → 3-Hydroxypropyl oleate (821-17-0) + 3-[(Z)-octadec-9-enoyl]oxypropyl-(Z)-octadec-9-enoate (821-69-2)

Guidance literature:

With 1,4-dioxane; pyridine; benzene;

upstream raw materials:

(Z)-9-octadecenoyl chloride

trimethyleneglycol

cis-Octadecenoic acid