Glyceryl tribenzoate

Base Information

• Chemical Name: Glyceryl tribenzoate
• CAS No.: 614-33-5
• Molecular Formula: C24H20 O6
• Molecular Weight: 404.419
• European Community (EC) Number: 210-379-6
• NSC Number: 2230
• UNII: 3LZY0X529Y
• DSSTox Substance ID: DTXSID90862290
• Nikkaji Number: J16.829G
• Wikidata: Q27257591
• Metabolomics Workbench ID: 43901
• Mol file: 614-33-5.mol

Synonyms:glyceryl tribenzoate

Chemical Property of Glyceryl tribenzoate

Chemical Property:

• Vapor Pressure: 4.23E-12mmHg at 25°C
• Melting Point: 68-72 °C(lit.)
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 548.9°C at 760 mmHg
• Flash Point: 238.1°C
• PSA: 78.90000
• Density: 1.243g/cm³
• LogP: 3.92600
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 404.12598835
• Heavy Atom Count: 30
• Complexity: 522

Purity/Quality:

98% , ^*data from raw suppliers

Glyceryl tribenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
• Uses: Plasticizer

Technology Process of Glyceryl tribenzoate

There total 17 articles about Glyceryl tribenzoate 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: 99.2%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + benzoic acid (65-85-0,8013-63-6) → glyceryl tribenzoate (614-33-5)

Guidance literature:

With calcium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; decane; at 220 ℃; for 1h; Solvent; Reagent/catalyst; Reflux; Large scale;

Reference yield: 70.0%

benzoyl chloride (98-88-4) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → glyceryl tribenzoate (614-33-5)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 16h; Cooling with ice;

Reference yield:

benzoic acid (65-85-0,8013-63-6) → glyceryl tribenzoate (614-33-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 2 h

2: triethylamine / tetrahydrofuran / 48 h

With triethylamine; In tetrahydrofuran;

DOI:10.3329/bjp.v13i4.37210

upstream raw materials:

pyridine

benzoyl chloride

glycerol

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

Downstream raw materials:

2,3-bis-benzoyloxy-propan-1-ol

2-hydroxy-2-phenylacetophenone

sodium benzoate

benzoic acid ethyl ester

Refernces

• 1、 Arshad, Tanzila,Sheikh, Hamdullah Khadim,Kazmi, Mehdi Hassan,Farheen, Sadia,Sohail, Tehmina,Lateef, Mehreen. "New bioactive triaryl triglyceride esters: Synthesis, characterization and biological activities". . p. 302 - 308. Retrieved 2018/11/01.
• 2、 -. "Production method of glycerin tribenzoate". Paragraph 0031; 0032. . Retrieved 2016/10/07.