Pentaerythritol tetravalerate

Base Information

• Chemical Name: Pentaerythritol tetravalerate
• CAS No.: 15834-04-5
• Deprecated CAS: 41168-06-3
• Molecular Formula: C25H44 O8
• Molecular Weight: 472.62
• Hs Code.: 2915900090
• European Community (EC) Number: 239-937-7
• DSSTox Substance ID: DTXSID20893259
• Nikkaji Number: J106.230A
• Wikidata: Q81982517
• Mol file: 15834-04-5.mol

Synonyms:Pentaerythritol tetravalerate;15834-04-5;Pentaerythritol valerate;2,2-BIS[[(1-OXOPENTYL)OXY]METHYL]PROPANE-1,3-DIYL DIVALERATE;[3-pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] pentanoate;EINECS 239-937-7;EC 239-937-7;2,2-Bis(((1-oxopentyl)oxy)methyl)-1,3-propanediyl pentanoate;2,2-Bis(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate;Pentanoic acid, 2,2-bis(((1-oxopentyl)oxy)methyl)-1,3-propanediyl ester;Pentanoic acid, 1,1'-(2,2-bis(((1-oxopentyl)oxy)methyl)-1,3-propanediyl) ester;Pentanoic acid, 2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl ester;pentaerythritol tetrapentanoate;SCHEMBL4116367;DTXSID20893259;C25H44O8;C25-H44-O8

Chemical Property of Pentaerythritol tetravalerate

Chemical Property:

• Vapor Pressure: 3.01E-11mmHg at 25°C
• Boiling Point: 528.3°Cat760mmHg
• Flash Point: 220.4°C
• PSA: 105.20000
• Density: 1.038g/cm³
• LogP: 4.90640
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 24
• Exact Mass: 472.30361836
• Heavy Atom Count: 33
• Complexity: 471

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC
• Uses: Pentaerythritol Tetrapentanoate is an ester plasticizer for polymers such as PVC. It is also a four polyol ester-based lubricant.

Technology Process of Pentaerythritol tetravalerate

There total 3 articles about Pentaerythritol tetravalerate 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: 97.0%

Pentaerythritol (115-77-5) + valeric acid (109-52-4) → pentaerythritol tetrapentanoate ester (15834-04-5)

Guidance literature:

With sulfuric acid; toluene-4-sulfonic acid; at 105 ℃; for 0.15h; Neat (no solvent); Microwave irradiation;

DOI:10.1039/c0gc00351d

Reference yield:

Pentaerythritol (115-77-5) + valeric acid (109-52-4) → pentaerythritol tetrapentanoate ester (15834-04-5) + 3-hydroxy-2,2-bis(hydroxymethyl)propyl pentanoate (70146-30-4) + pentaerythritol tripentanoate + C15H28O6

Guidance literature:

Inert atmosphere; Dean-Stark; Reflux;

DOI:10.1134/S003602442010009X

Reference yield:

→ pentaerythritol tetrapentanoate ester (15834-04-5)

Guidance literature:

Pentaerythrit, 4 Mol Valeriansaeure, p-Toluolsulfonsaeure, Bzl., Toluol, Kochen;

DOI:10.1021/je60015a035

upstream raw materials:

Pentaerythritol

valeric acid