Retinyl linoleate

Base Information

• Chemical Name: Retinyl linoleate
• CAS No.: 631-89-0
• Molecular Formula: C₃₈H₆₀O₂
• Molecular Weight: 548.893
• European Community (EC) Number: 426-960-4
• DSSTox Substance ID: DTXSID901021961
• Nikkaji Number: J701.495C
• Wikidata: Q27139072
• Metabolomics Workbench ID: 65241
• Mol file: 631-89-0.mol

Synonyms:retinol linoleate;retinyl linoleate

Chemical Property of Retinyl linoleate

Chemical Property:

• Vapor Pressure: 7.88E-16mmHg at 25°C
• Boiling Point: 631°C at 760 mmHg
• Flash Point: 78.4°C
• PSA: 26.30000
• Density: 0.929g/cm³
• LogP: 11.87470
• XLogP3: 13
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 548.45933115
• Heavy Atom Count: 40
• Complexity: 917

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C
• Isomeric SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
• Uses: retinyl linoleate is a conditioning agent, this is an ester of retinol and linoleic acid.

Technology Process of Retinyl linoleate

There total 3 articles about Retinyl linoleate 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: 71.0%

linoleic acid (60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3) + Retinol acetate (127-47-9,64536-04-5) → retinyl linoleate (631-89-0) + RETINOL (68-26-8)

Guidance literature:

With Novozyme 435 (from Candida antarctica immobilized on acrylic resin); Amberlyst A-21; In toluene; at 20 ℃; for 2 - 50h; Product distribution / selectivity; Enzymatic reaction;

Reference yield:

Methyl linoleate (112-63-0) + Retinol acetate (127-47-9,64536-04-5) → retinyl linoleate (631-89-0) + RETINOL (68-26-8)

Guidance literature:

With Novozyme 435 (from Candida antarctica immobilized on acrylic resin); In toluene; at 20 ℃; Product distribution / selectivity; Enzymatic reaction;

Reference yield:

linoleic acid (60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3) + Retinol acetate (127-47-9,64536-04-5) → retinyl linoleate (631-89-0)

Guidance literature:

With novozyme 435; In toluene; at 20 ℃; for 20h; Schlenk technique; Inert atmosphere; Enzymatic reaction;

DOI:10.1194/jlr.D040204

upstream raw materials:

linoleic acid

Retinol acetate

Methyl linoleate

Refernces

• 1、 -. "Preparation of retinyl esters". Page/Page column 5-8. . Retrieved 2009/08/14.