Glycerol trivalerate

Base Information

• Chemical Name: Glycerol trivalerate
• CAS No.: 620-68-8
• Molecular Formula: C18H32 O6
• Molecular Weight: 344.448
• Hs Code.: 2915900090
• European Community (EC) Number: 210-648-8
• UNII: Z9J25OS07L
• DSSTox Substance ID: DTXSID30977539
• Nikkaji Number: J118.307I
• Wikidata: Q27295192
• Mol file: 620-68-8.mol

Synonyms:glycerol trivalerate

Chemical Property of Glycerol trivalerate

Chemical Property:

• Vapor Pressure: 3.41E-06mmHg at 25°C
• Refractive Index: n20/D 1.439
• Boiling Point: 386.9°C at 760 mmHg
• Flash Point: 163°C
• PSA: 78.90000
• Density: 1.002 g/mL at 20 °C(lit.)
• LogP: 3.55520
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 17
• Exact Mass: 344.21988874
• Heavy Atom Count: 24
• Complexity: 343

Purity/Quality:

99%, ^*data from raw suppliers

Glycerol trivalerate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC
• Uses: Glycerol Trivalerate is used a a substrate to determine lipase activity in cheese.

Technology Process of Glycerol trivalerate

There total 2 articles about Glycerol trivalerate 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:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + valeric acid (109-52-4) → glycerol tripentanoate (620-68-8)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; Multistep reaction; 1.) CH₂Cl₂, 2.) CH₂Cl₂;

DOI:10.1016/0009-3084(95)02463-S

Reference yield:

→ glycerol tripentanoate (620-68-8)

Guidance literature:

Valeriansaeure, Glycerin, Naphthalinsulfonsaeure;

DOI:10.1016/0009-3084(78)90056-7

Reference yield: 99.0%

glycerol tripentanoate (620-68-8) → methyl valerate (624-24-8)

Guidance literature:

With C₁₆H₂₅N₃O₂S; In methanol; at 23 ℃; for 24h;

DOI:10.1021/acscatal.9b01959

upstream raw materials:

glycerol

valeric acid

Downstream raw materials:

methyl valerate

Refernces