Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester

Base Information

• Chemical Name: Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester
• CAS No.: 14450-05-6
• Deprecated CAS: 128557-13-1
• Molecular Formula: C41H76O8
• Molecular Weight: 697.05
• Hs Code.: 2915900090
• European Community (EC) Number: 238-430-8
• UNII: RNT5EQ94KD
• DSSTox Substance ID: DTXSID6027765
• Nikkaji Number: J106.234D
• Wikidata: Q27288215
• Mol file: 14450-05-6.mol

Synonyms:14450-05-6;Pentaerythrityl tetrapelargonate;Pentaerythritol tetranonanoate;Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester;Nonanoic acid, neopentanetetrayl ester;2,2-BIS[[(1-OXONONYL)OXY]METHYL]PROPANE-1,3-DIYL DINONAN-1-OATE;[3-nonanoyloxy-2,2-bis(nonanoyloxymethyl)propyl] nonanoate;UNII-RNT5EQ94KD;RNT5EQ94KD;2,2-Bis(((1-oxononyl)oxy)methyl)propane-1,3-diyl dinonan-1-oate;EINECS 238-430-8;AI3-14798;Nonanoic acid, 2,2-bis(((1-oxononyl)oxy)methyl)-1,3-propanediyl ester;2,2-Bis((nonanoyloxy)methyl)propane-1,3-diyl dinonanoate;Nonanoic acid, 1,1'-(2,2-bis(((1-oxononyl)oxy)methyl)-1,3-propanediyl) ester;3-(nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl nonanoate (non-preferred name);PELEMOL PTP;REOLUBE LP 3600;pentaerythritol tetrapelargonate;SCHEMBL5166564;DTXSID6027765;PENTAERYTHRITOL, TETRANONANOATE;PENTAERYTHRITOL TETRAKISPELARGONATE;PENTAERYTHRITYL TETRAPELARGONATE [INCI];W-110382;Q27288215;2, 2- bis[[(1- oxononyl)oxy]methyl]propane- 1, 3- diyl dinonan- 1- oate

Chemical Property of Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester

Chemical Property:

• Vapor Pressure: 2.16E-19mmHg at 25°C
• Refractive Index: 1.465
• Boiling Point: 699.1 °C at 760 mmHg
• Flash Point: 273.6 °C
• PSA: 105.20000
• Density: 0.969 g/cm³
• LogP: 11.14800
• XLogP3: 14
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 40
• Exact Mass: 696.55401938
• Heavy Atom Count: 49
• Complexity: 678

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester

There total 2 articles about Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester 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: 88.0%

Pentaerythritol (115-77-5) + nonanoic acid (112-05-0) → pentaerythritol tetrapelargonate (14450-05-6)

Guidance literature:

With sulfuric acid; toluene-4-sulfonic acid; at 118 ℃; for 0.166667h; Neat (no solvent); Microwave irradiation;

DOI:10.1039/c0gc00351d

Reference yield:

→ pentaerythritol tetrapelargonate (14450-05-6)

Guidance literature:

Pentaerythrit, 4Mol Pelargonsaeure, (Kochen, p-Toluolsulfonsaeure, Bzl, Toluol od. Xylol);

DOI:10.1021/je60015a035

upstream raw materials:

Pentaerythritol

nonanoic acid