2,3-Dihydroxypropyl icosanoate

Base Information

• Chemical Name: 2,3-Dihydroxypropyl icosanoate
• CAS No.: 50906-68-8
• Molecular Formula: C23H46O4
• Molecular Weight: 386.61
• DSSTox Substance ID: DTXSID201015359
• Nikkaji Number: J1.135.003H
• Metabolomics Workbench ID: 75087
• ChEMBL ID: CHEMBL1288031
• Mol file: 50906-68-8.mol

Synonyms:2,3-dihydroxypropyl icosanoate;monoarachidin;30208-87-8;GLYCERYL ARACHIDATE;Glyceryl-1-eicosanoate;50906-68-8;Eicosanoic acid, 2,3-dihydroxypropyl ester;MG(20:0/0:0/0:0)[rac];1-eicosanoyl-rac-glycerol;MG(20:0);Monoeicosanoin;alpha-Monoarachin;MG 20:0;1-icosanoylglycerol;1-arachidoylglycerol;1-eicosanoylglycerol;LMGL01010007;glyceryl-1-icosanoate;1-O-Icosanoylglycerol;1-acylglycerol 20:0;glyceryl 1-monoarachidate;1-Monoarachidate Glycerol;monoarachidin, AldrichCPR;UNII-I4WS2B978B;2,3-dihydroxypropyl eicosanoate;CHEMBL1288031;SCHEMBL10937708;3-icosanoyloxy-propane-1,2-diol;CHEBI:142495;3-eicosanoyloxy-propane-1,2-diol;DTXSID201015359;MAG 20:0;2,3-Dihydroxypropyl-Eicosanoic Ester;icosanoic acid 2,3-dihydroxypropyl ester;eicosanoic acid 2,3-dihydroxypropyl ester;PD126773;5, 8, 11, 14- eicosatetraenoic acid, 2, 3- dihydroxypropyl ester;5,8,11,14-Eicosatetraenoicacid,2,3-dihydroxypropyl ester,(5Z,8Z,11Z,14Z)-

Chemical Property of 2,3-Dihydroxypropyl icosanoate

Chemical Property:

• Melting Point: 68 - 69.2 °C
• PSA: 66.76000
• LogP: 5.92450
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 22
• Exact Mass: 386.33960994
• Heavy Atom Count: 27
• Complexity: 307

Purity/Quality:

1-Arachidoyl-rac-glycerol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

Technology Process of 2,3-Dihydroxypropyl icosanoate

There total 4 articles about 2,3-Dihydroxypropyl icosanoate 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:

Eicosanoic acid, 2,2-dimethyl-1,3- dioxolan-4-ylmethyl ester (57156-96-4) → glyceryl-1-eicosanoate (50906-68-8)

Guidance literature:

With hydrogenchloride; In methanol; for 0.166667h; Heating;

DOI:10.1021/jf980891i

Reference yield:

C46H88O8Si → glyceryl-1-eicosanoate (50906-68-8)

Guidance literature:

With water; at 60 ℃; for 2.5h;

Reference yield:

Arachidic acid (506-30-9) → glyceryl-1-eicosanoate (50906-68-8)

Guidance literature:

at 15 ℃; Verseifen des Reaktionsprodukts mit konz.HCl in Aether bei 5grad;

DOI:10.1021/ja01214a030

upstream raw materials:

Eicosanoic acid, 2,2-dimethyl-1,3- dioxolan-4-ylmethyl ester

Arachidic acid

Refernces

• 1、 -. "High-selectivity synthesis method of long-chain fatty acid monoglyceride". Paragraph 0039; 0042. . Retrieved 2019/02/27.
• 2、 Koehler, Peter,Grosch, Werner. "Study of the effect of DATEM. 1. Influence of fatty acid chain length on rheology and baking". . p. 1863 - 1869. Retrieved 2007/10/03.