Dipentaerythrityl hexaheptanoate

Base Information

• Chemical Name: Dipentaerythrityl hexaheptanoate
• CAS No.: 76939-66-7
• Molecular Formula: C52H94 O13
• Molecular Weight: 927.311
• European Community (EC) Number: 278-580-1
• UNII: 44O9IV5XQA
• DSSTox Substance ID: DTXSID90227729
• Nikkaji Number: J106.251D
• Wikidata: Q27258752
• Mol file: 76939-66-7.mol

Synonyms:dipentaerythrityl hexaheptanoate;76939-66-7;UNII-44O9IV5XQA;44O9IV5XQA;EINECS 278-580-1;2-((3-((1-Oxoheptyl)oxy)-2,2-bis(((1-oxoheptyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate;Dipentaerythritol hexaenanthate;dipentaerythritol hexaheptanoate;SCHEMBL5706637;DTXSID90227729;QGIFGDDZGUSRAJ-UHFFFAOYSA-N;NS00037864;Q27258752;HEPTANOIC ACID, 1,1'-(2-((3-((1-OXOHEPTYL)OXY)-2,2-BIS(((1-OXOHEPTYL)OXY)METHYL)PROPOXY)METHYL)-2-(((1-OXOHEPTYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER;HEPTANOIC ACID, 2-((3-((1-OXOHEPTYL)OXY)-2,2-BIS(((1-OXOHEPTYL)OXY)METHYL)PROPOXY)METHYL)-2-(((1-OXOHEPTYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER

Chemical Property of Dipentaerythrityl hexaheptanoate

Chemical Property:

• Vapor Pressure: 6.33E-28mmHg at 25°C
• Boiling Point: 833°C at 760 mmHg
• Flash Point: 310.9°C
• PSA: 167.03000
• Density: 1.014g/cm³
• LogP: 12.05740
• XLogP3: 14.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 52
• Exact Mass: 926.66944305
• Heavy Atom Count: 65
• Complexity: 1000

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OCC(COCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC

Technology Process of Dipentaerythrityl hexaheptanoate

There total 1 articles about Dipentaerythrityl hexaheptanoate 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: 96.0%

oenanthic acid (111-14-8) + Dipentaerythritol (126-58-9) → dipentaerythritol hexaheptanoate (76939-66-7)

Guidance literature:

With sulfuric acid; toluene-4-sulfonic acid; at 135 ℃; for 0.183333h; Neat (no solvent); Microwave irradiation;

DOI:10.1039/c0gc00351d

upstream raw materials:

oenanthic acid

Dipentaerythritol

Refernces