2,3-Dihydroxypropyl 16-methylheptadecanoate

Base Information

• Chemical Name: 2,3-Dihydroxypropyl 16-methylheptadecanoate
• CAS No.: 50486-18-5
• Deprecated CAS: 32057-14-0
• Molecular Formula: C₂₁H₄₂O₄
• Molecular Weight: 358.562
• European Community (EC) Number: 266-124-4,267-822-1,256-603-6
• UNII: HYE7O27HAO
• DSSTox Substance ID: DTXSID70867203
• Nikkaji Number: J261.528B
• Wikidata: Q27280163
• RXCUI: 1311695
• Metabolomics Workbench ID: 105798
• Mol file: 50486-18-5.mol

Synonyms:2,3-Dihydroxypropyl 16-methylheptadecanoate;Glycerol monoisostearate;GLYCERYL ISOSTEARATE;Glyceryl monoisostearate;66085-00-5;2,3-Dihydroxypropyl isooctadecanoate;UNII-HYE7O27HAO;HYE7O27HAO;AKD-2A;Isooctadecanoic acid, monoester with 1,2,3-propanetriol;50486-18-5;67938-24-3;Isostearic acid, 1,2,3-propaneriol ester (1:1);EINECS 256-603-6;EINECS 266-124-4;EINECS 267-822-1;Isooctadecanoic acid, monoester with glycerol;EC 266-124-4;MGIS;NIKKOL MGIS;glycerin monoisostearate;GLYCEROISOSTEARATE;PRISORINE 2040;PRISORINE GMIS 2040;SCHEMBL2516961;DTXSID70867203;GLYCERYL ISOSTEARATE [II];ASKIVFGGGGIGKH-UHFFFAOYSA-N;GLYCERYL ISOSTEARATE [INCI];ISOSTEARIC ACID MONOGLYCERIDE;glycerol monoisostearate, AldrichCPR;2,3-Dihydroxypropyl16-methylheptadecanoate;Q27280163

Chemical Property of 2,3-Dihydroxypropyl 16-methylheptadecanoate

Chemical Property:

• Vapor Pressure: 6.31E-11mmHg at 25°C
• Boiling Point: 472.8°C at 760 mmHg
• Flash Point: 150.1°C
• Density: 0.957g/cm³
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 358.30830982
• Heavy Atom Count: 25
• Complexity: 292

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OCC(CO)O

Technology Process of 2,3-Dihydroxypropyl 16-methylheptadecanoate

There total 3 articles about 2,3-Dihydroxypropyl 16-methylheptadecanoate 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:

16-methyl-heptadecanoic acid 2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester → glycerol monoisostearate (50486-18-5)

Guidance literature:

With hydrogenchloride; at -75 ℃; for 0.166667h;

DOI:10.7164/antibiotics.52.345

Reference yield:

16-methylheptadecanoic acid (2724-58-5) → glycerol monoisostearate (50486-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 4-(dimethylamino)pyridine (DMAP); N,N'-dicyclohexyl-carbodiimide (DCC) / CCl₄

2: hydrogen chloride (HCl) gas / 0.17 h / -75 °C

With hydrogenchloride; dmap; dicyclohexyl-carbodiimide; In tetrachloromethane; 1: Esterification / 2: deprotection;

DOI:10.7164/antibiotics.52.345

Reference yield:

→ glycerol monoisostearate (50486-18-5)

Guidance literature:

upstream raw materials:

16-methylheptadecanoic acid

Refernces

• 1、 Ping, Xu,Usuki, Yoshinosuke,Akeda, Yukihiro,Taniguchi, Makoto. "Synthesis of 1-monoglycerides having C11-20 branched chain fatty acids and their hemolysis effects". . p. 345 - 347. Retrieved 2007/10/03.
• 2、 -. "Blends of lanolin wax and esters of aliphatic polyols and fatty acids". . . Retrieved 2008/06/13.