Diethylene glycol dihexanoate

Base Information

• Chemical Name: Diethylene glycol dihexanoate
• CAS No.: 41710-01-4
• Molecular Formula: C16H30O5
• Molecular Weight: 302.411
• Hs Code.: 2917190090
• European Community (EC) Number: 255-509-2
• DSSTox Substance ID: DTXSID80866060
• Nikkaji Number: J278.254E
• ChEMBL ID: CHEMBL2268856
• Mol file: 41710-01-4.mol

Synonyms:Diethylene glycol dihexanoate;Oxydiethylene hexanoate;Diethylene glycol, bis(caproate);41710-01-4;EINECS 255-509-2;Hexanoic acid, oxydi-2,1-ethanediyl ester;Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester;SCHEMBL6406448;CHEMBL2268856;DTXSID80866060;C16H30O5;Oxydi(ethane-2,1-diyl) dihexanoate;Bishexanoic acid oxybis(2,1-ethanediyl) ester

Chemical Property of Diethylene glycol dihexanoate

Chemical Property:

• Vapor Pressure: 6.96E-06mmHg at 25°C
• Boiling Point: 377°Cat760mmHg
• Flash Point: 160.7°C
• PSA: 61.83000
• Density: 0.988g/cm³
• LogP: 3.25000
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 302.20932405
• Heavy Atom Count: 21
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCCOCCOC(=O)CCCCC

Technology Process of Diethylene glycol dihexanoate

There total 3 articles about Diethylene glycol dihexanoate 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:

hexanoic acid (142-62-1) + diethylene glycol (111-46-6) → bis-(2-hexanoyloxy-ethyl)-ether (41710-01-4)

Guidance literature:

sulfonic acid; at 120 - 200 ℃;

Reference yield:

hexanoic acid (142-62-1) → 1,2-ethylene glycol dihexanoate (624-06-6) + bis-(2-hexanoyloxy-ethyl)-ether (41710-01-4)

Guidance literature:

With zinc(II) triflate; at 190 ℃; for 24h; Reagent/catalyst; Overall yield = 31%;

DOI:10.1007/s10562-014-1214-8

Reference yield:

→ bis-(2-hexanoyloxy-ethyl)-ether (41710-01-4)

Guidance literature:

/BRN= 1804118/;

upstream raw materials:

hexanoic acid

diethylene glycol

Refernces

• 1、 -. "Polyol polyester-containing personal care products that do not contain low viscosity silicone fluids". Page/Page column 4. . Retrieved 2008/06/13.