Pentaerythrityl tetracaprate

Base Information

• Chemical Name: Pentaerythrityl tetracaprate
• CAS No.: 13784-61-7
• Deprecated CAS: 1802711-68-7
• Molecular Formula: C45H84 O8
• Molecular Weight: 753.157
• Hs Code.: 2915900090
• European Community (EC) Number: 237-441-5
• UNII: 8F4496127K
• DSSTox Substance ID: DTXSID80864440
• Nikkaji Number: J106.235B
• Wikidata: Q27270283
• Mol file: 13784-61-7.mol

Synonyms:pentaerythrityl tetracaprate;13784-61-7;Pentaerythritol tetracaprate;Pentaerythritol tetradecanoate;Decanoic acid, neopentanetetrayl ester;UNII-8F4496127K;2,2-BIS[[(1-OXODECYL)OXY]METHYL]-1,3-PROPANEDIYL DIDECANOATE;EINECS 237-441-5;Pentaerythritol, tetrakis(decanoate);2,2-Bis(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate;8F4496127K;Decanoic acid, 2,2-bis(((1-oxodecyl)oxy)methyl)-1,3-propanediyl ester;Decanoic acid, 2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl ester;Decanoic acid, 1,1'-(2,2-bis(((1-oxodecyl)oxy)methyl)-1,3-propanediyl) ester;2,2-Bis((decanoyloxy)methyl)propane-1,3-diyl bis(decanoate);[3-decanoyloxy-2,2-bis(decanoyloxymethyl)propyl] decanoate;SCHEMBL6054778;DTXSID80864440;AKOS040753454;Decanoic acid,1,1'-[2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl] ester;DECANOIC ACID, TETRAESTER WITH PENTAERYTHRITOL;Q27270283;2,2-Bis(hydroxymethyl)-propane-1,3-diol tetrasdecanoate;3-(Decanoyloxy)-2,2-bis[(decanoyloxy)methyl]propyl decanoate #;Decanoic acid,1,1'-[2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl]ester

Chemical Property of Pentaerythrityl tetracaprate

Chemical Property:

• Vapor Pressure: 1.37E-21mmHg at 25°C
• Boiling Point: 737.1°Cat760mmHg
• Flash Point: 283.9°C
• PSA: 105.20000
• Density: 0.959g/cm³
• LogP: 12.70840
• XLogP3: 16.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 44
• Exact Mass: 752.61661963
• Heavy Atom Count: 53
• Complexity: 731

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC

Technology Process of Pentaerythrityl tetracaprate

There total 1 articles about Pentaerythrityl tetracaprate 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%

Pentaerythritol (115-77-5) + 1-decanoic acid (334-48-5) → Pentaerythritol tetradecanoate (13784-61-7)

Guidance literature:

With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1081/SCC-120006474

upstream raw materials:

Pentaerythritol

1-decanoic 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.