Triheptanoin

Base Information

• Chemical Name: Triheptanoin
• CAS No.: 620-67-7
• Molecular Formula: C24H44O6
• Molecular Weight: 428.61
• Hs Code.: 2915900090
• European Community (EC) Number: 210-647-2
• UNII: 2P6O7CFW5K
• DSSTox Substance ID: DTXSID40862306
• Nikkaji Number: J53.997J
• Wikipedia: Triheptanoin
• Wikidata: Q414576
• NCI Thesaurus Code: C166587
• RXCUI: 1313234
• Metabolomics Workbench ID: 152794
• ChEMBL ID: CHEMBL4297585
• Mol file: 620-67-7.mol

Synonyms:glyceroltriheptanoate;glyceryl triheptanoate;triheptanoin

Chemical Property of Triheptanoin

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 5.24E-09mmHg at 25°C
• Refractive Index: n20/D 1.444
• Boiling Point: 470 °C at 760 mmHg
• Flash Point: 195.5 °C
• PSA: 78.90000
• Density: 0.984 g/cm³
• LogP: 5.89580
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 23
• Exact Mass: 428.31378912
• Heavy Atom Count: 30
• Complexity: 421

Purity/Quality:

98% ^*data from raw suppliers

Triheptanoin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC
• Recent ClinicalTrials: Diet Treatment Glucose Transporter Type 1 Deficiency (G1D)
• Recent EU Clinical Trials: A Randomized, Double-blind, Multicenter Study to Determine the Effect of Triheptanoin Compared with Even-chain, Medium-chain Triglycerides (MCT) on Major Clinical Events (MCEs) in Pediatric Patients with Long-chain Fatty Acid Oxidation Disorders (LC-FAOD)
• Uses: triheptanoin is a triglyceride that acts as a surfactant and skinconditioning agent, it also helps increase product viscosity. often used in cleansers, face and neck products, moisturizers and lipsticks.

Technology Process of Triheptanoin

There total 2 articles about Triheptanoin 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:

oenanthic acid (111-14-8) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → glycerol triheptanoate (620-67-7)

Guidance literature:

With Twitchell's reagent; at 100 ℃;

Reference yield:

→ glycerol triheptanoate (620-67-7)

Guidance literature:

upstream raw materials:

oenanthic acid

glycerol

Refernces

• 1、 Lie Ken Jie, Marcel S.F.,Lam. "1H-Nuclear magnetic resonance spectroscopic studies of saturated, acetylenic and ethylenic triacylglycerols". . p. 155 - 171. Retrieved 2007/10/03.