Neopentyl glycol dicaprate

Base Information

• Chemical Name: Neopentyl glycol dicaprate
• CAS No.: 27841-06-1
• Molecular Formula: C25H48 O4
• Molecular Weight: 412.654
• European Community (EC) Number: 248-688-3
• UNII: 77T908SE82
• DSSTox Substance ID: DTXSID70865401
• Nikkaji Number: J250.599A
• Wikidata: Q27266609
• RXCUI: 1367144
• Mol file: 27841-06-1.mol

Synonyms:Neopentyl glycol dicaprate;27841-06-1;Neopentyl glycol didecanoate;(3-decanoyloxy-2,2-dimethylpropyl) decanoate;UNII-77T908SE82;EINECS 248-688-3;Decanoic acid, 2,2-dimethyl-1,3-propanediol diester;77T908SE82;Decanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester;2,2-Dimethyl-1,3-propanediyl didecanoate;Decanoic acid, 2,2-dimethyl-1,3-propanediyl ester;VISTANOL NPGC;DERMOL NGDC;Decanoic acid,1,1'-(2,2-dimethyl-1,3-propanediyl) ester;ESTEMOL N-01;SCHERCEMOL NGDC ESTER;SCHEMBL1730397;DTXSID70865401;NEOPENTYL GLYCOL DICAPRATE [INCI];1,3-bis-(decanoyloxy)-2,2-dimethyl-propane;2, 2- dimethyl- 1, 3- propanediyl didecanoate;2,2-DIMETHYLPROPANE-1,3-DIOL DIDECANOATE;Q27266609;Decanoic acid,1,1'-(2,2-dimethyl-1,3-propanediyl)ester

Chemical Property of Neopentyl glycol dicaprate

Chemical Property:

• Vapor Pressure: 1.7E-09mmHg at 25°C
• Boiling Point: 483.3°C at 760 mmHg
• Flash Point: 226°C
• PSA: 52.60000
• Density: 0.92g/cm³
• LogP: 7.38040
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 22
• Exact Mass: 412.35526001
• Heavy Atom Count: 29
• Complexity: 368

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Neopentyl glycol dicaprate

There total 1 articles about Neopentyl glycol dicaprate 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: 67.0%

1-decanoic acid (334-48-5) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 1,3-bis-decanoyloxy-2,2-dimethyl-propane (27841-06-1)

Guidance literature:

With sulfonated graphene oxide; In toluene; at 110 ℃; for 6h;

DOI:10.2174/1570178614666171130152836

upstream raw materials:

1-decanoic acid

2,2-Dimethyl-1,3-propanediol

Refernces