2,2,4-Trimethyl-1,3-pentanediol dipelargonate

Base Information

• Chemical Name: 2,2,4-Trimethyl-1,3-pentanediol dipelargonate
• CAS No.: 15721-83-2
• Molecular Formula: C₂₆H₅₀O₄
• Molecular Weight: 426.681
• DSSTox Substance ID: DTXSID40935640
• Nikkaji Number: J421.950C
• Mol file: 15721-83-2.mol

Synonyms:15721-83-2;2,2,4-Trimethyl-1,3-pentanediol dipelargonate;(2,2,4-trimethyl-3-nonanoyloxypentyl) nonanoate;2,2,4-Trimethyl-1,3-pentanediol dinonanoate;(2,2,4-TRIMETHYL-3-NONANOYLOXY-PENTYL) NONANOATE;Nonanoic acid, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester;Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester;DTXSID40935640;2,2,4-Trimethylpentane-1,3-diyl dinonanoate;2,2,4-trimethyl-1,3-bis-(nonanoyloxy)-pentane;Nonanoic acid, 1-isopropyl-2,2-dimethyltrimethylene ester;Bisnonanoic acid 1-isopropyl-2,2-dimethylpropane-1,3-diyl ester

Chemical Property of 2,2,4-Trimethyl-1,3-pentanediol dipelargonate

Chemical Property:

• Vapor Pressure: 1.04E-09mmHg at 25°C
• Boiling Point: 489°Cat760mmHg
• Flash Point: 227.8°C
• PSA: 52.60000
• Density: 0.916g/cm³
• LogP: 7.62480
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 426.37091007
• Heavy Atom Count: 30
• Complexity: 442

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OCC(C)(C)C(C(C)C)OC(=O)CCCCCCCC

Technology Process of 2,2,4-Trimethyl-1,3-pentanediol dipelargonate

There total 1 articles about 2,2,4-Trimethyl-1,3-pentanediol dipelargonate 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:

2,2,4-trimethylpentan-1,3-diol (144-19-4) + nonanoic acid (112-05-0) → 2,2,4-trimethyl-1,3-bis-nonanoyloxy-pentane (15721-83-2)

Guidance literature:

With toluene; benzenesulfonic acid; unter Entfernen des entstehenden Wassers;

upstream raw materials:

2,2,4-trimethylpentan-1,3-diol

nonanoic acid