Pentaerythrityl tetraheptanoate

Base Information

• Chemical Name: Pentaerythrityl tetraheptanoate
• CAS No.: 25811-35-2
• Molecular Formula: C33H60 O8
• Molecular Weight: 584.835
• Hs Code.: 2915900090
• European Community (EC) Number: 247-279-7
• UNII: 750HPD2T6W
• DSSTox Substance ID: DTXSID50180467
• Nikkaji Number: J106.231J
• Wikidata: Q27266319
• Mol file: 25811-35-2.mol

Synonyms:Pentaerythrityl tetraheptanoate;25811-35-2;EINECS 247-279-7;UNII-750HPD2T6W;pentaerythritol tetraheptanoate;750HPD2T6W;[3-heptanoyloxy-2,2-bis(heptanoyloxymethyl)propyl] heptanoate;2,2-BIS[[(1-OXOHEPTYL)OXY]METHYL]PROPANE-1,3-DIYL BISHEPTANOATE;2,2-Bis(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate;EC 247-279-7;Heptanoic acid, 2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester;HEPTANOIC ACID, 2,2-BIS(((1-OXOHEPTYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER;Pentaerythritol tetraenanthate;SCHEMBL2865315;DTXSID50180467;C33H60O8;PENTAERYTHRITOL, TETRAHEPTANOATE;PENTAERYTHRITOL TETRA-N-HEPTANOATE;AS-82683;HEPTANOIC ACID, NEOPENTANETETRAYL ESTER;F87872;Q27266319;2,2-bis(hydroxymethyl)propane-1,3-diol;heptanoic acid;2,2-BIS((HEPTANOYLOXY)METHYL)PROPANE-1,3-DIYL DIHEPTANOATE;HEPTANOIC ACID, 1,1'-(2,2-BIS(((1-OXOHEPTYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER

Chemical Property of Pentaerythrityl tetraheptanoate

Chemical Property:

• Vapor Pressure: 3.35E-15mmHg at 25°C
• Melting Point: -1.5--0.5oC
• Boiling Point: 618°Cat760mmHg
• Flash Point: 249.7°C
• PSA: 105.20000
• Density: 0.995g/cm³
• LogP: 8.02720
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 32
• Exact Mass: 584.42881887
• Heavy Atom Count: 41
• Complexity: 573

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentaerythrityl tetraheptanoate

There total 3 articles about Pentaerythrityl tetraheptanoate 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: 93.0%

Pentaerythritol (115-77-5) + oenanthic acid (111-14-8) → Pentaerythritol tetra-n-heptanoate (25811-35-2)

Guidance literature:

With sulfuric acid; toluene-4-sulfonic acid; at 110 ℃; for 0.166667h; Neat (no solvent); Microwave irradiation;

DOI:10.1039/c0gc00351d

Reference yield:

Pentaerythritol (115-77-5) + oenanthic acid (111-14-8) → Pentaerythritol tetra-n-heptanoate (25811-35-2) + C19H36O6 (67763-19-3) + C26H48O7 (56158-58-8)

Guidance literature:

Inert atmosphere; Dean-Stark; Reflux;

DOI:10.1134/S003602442010009X

Reference yield:

→ Pentaerythritol tetra-n-heptanoate (25811-35-2)

Guidance literature:

Pentaerythrit, Oenanthsaeure (4Mol, Kochen, p-Toluolsulfonsaeure);

DOI:10.1021/je60015a035

upstream raw materials:

Pentaerythritol

oenanthic acid

Refernces

• 1、 Wang, Yanan,Ma, Rui,Jiang, Cheng,Lou, Wenjing,Wang, Xiaobo. "An efficient catalyst COK-15b for the catalytic synthesis of lubricating ester oils". . p. 28 - 32. Retrieved 2019/01/24.
• 2、 Zhang, Fengxiu,Zhang, Guangxian. "Microwave-promoted synthesis of polyol esters for lubrication oil using a composite catalyst in a solvent-free procedure". experimental part. p. 178 - 184. Retrieved 2011/03/23.