Triheptadecanoin

Base Information

• Chemical Name: Triheptadecanoin
• CAS No.: 2438-40-6
• Molecular Formula: C54H104 O6
• Molecular Weight: 849.416
• Hs Code.: 2915900090
• UNII: RQ21ORH87V
• DSSTox Substance ID: DTXSID40179128
• Nikkaji Number: J524.155C
• Wikidata: Q27288241
• Metabolomics Workbench ID: 6386
• Mol file: 2438-40-6.mol

Synonyms:Triheptadecanoin;2438-40-6;Glyceryl triheptadecanoate;Trimargarin;Trimargarine;Glycerol triheptadecanoate;Trimargaroylglycerol;Triglyceride HdHdHd;Heptadecanoin, tri-;Palmitic acid triglyderide;Heptadecanoic acid triglyceride;2,3-di(heptadecanoyloxy)propyl heptadecanoate;UNII-RQ21ORH87V;RQ21ORH87V;1,2,3-triheptadecanoyl-glycerol;Heptadecanoic acid, 1,2,3-propanetriyl ester;1,2,3-triheptadecanoyl-sn-glycerol;TG(17:0/17:0/17:0);Heptadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester;LMGL03010031;Triheptadecanoin, 8CI;SCHEMBL1671526;DTXSID40179128;CHEBI:140863;CAA43840;Glyceryl triheptadecanoate, >=99%;1,2,3-Propanetriyl triheptadecanoate;AKOS030255024;beta-1,2,3-tris(heptadecanoyl)glycerol;AS-56815;BP-29847;PD018368;FT-0626754;J-015480;Q27288241;1,3-BIS(HEPTADECANOYLOXY)PROPAN-2-YL HEPTADECANOATE

Chemical Property of Triheptadecanoin

Chemical Property:

• Vapor Pressure: 1.01E-24mmHg at 25°C
• Melting Point: 64-67 °C
• Refractive Index: 1.465
• Boiling Point: 786.8°C at 760 mmHg
• Flash Point: 292.8°C
• PSA: 78.90000
• Density: 0.912g/cm³
• LogP: 17.59880
• Storage Temp.: −20°C
• Solubility.: chloroform: 0.1 g/mL, clear, colorless
• XLogP3: 23.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 53
• Exact Mass: 848.78329103
• Heavy Atom Count: 60
• Complexity: 841

Purity/Quality:

98%,99%, ^*data from raw suppliers

Glyceryl triheptadecanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC
• Uses: Glyceryl Triheptadecanoate is used in cosmetics that stimulates the growth of hair and skin.

Technology Process of Triheptadecanoin

There total 2 articles about Triheptadecanoin 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: 92.0%

heptadecanoic acid (506-12-7) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → β-1,2,3-tris(heptadecanoyl)glycerol (2438-40-6)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 25 ℃; for 24h; Inert atmosphere;

DOI:10.1007/s11745-010-3447-7

Reference yield:

1,2,3-tribromopropane (96-11-7) → β-1,2,3-tris(heptadecanoyl)glycerol (2438-40-6)

Guidance literature:

at 180 - 190 ℃;

Reference yield: 87.0%

methanol (67-56-1) + β-1,2,3-tris(heptadecanoyl)glycerol (2438-40-6) → methyl margarate (1731-92-6)

Guidance literature:

With C₃₀H₄₂N₂; potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 8h; Molecular sieve;

DOI:10.1021/acs.orglett.6b00835

upstream raw materials:

heptadecanoic acid

glycerol

1,2,3-tribromopropane

Downstream raw materials:

1,3-diheptadecanoin

methyl margarate

Refernces