Butanoic acid, diester with 1,2,3-propanetriol

Base Information

• Chemical Name: Butanoic acid, diester with 1,2,3-propanetriol
• CAS No.: 17364-00-0
• Molecular Formula: C11H20O5
• Molecular Weight: 232.277
• European Community (EC) Number: 251-139-0
• DSSTox Substance ID: DTXSID001030979
• Nikkaji Number: J25.504A
• Wikidata: Q27146081
• Mol file: 17364-00-0.mol

Synonyms:dibutyrin;dibutyrylglycerol

Chemical Property of Butanoic acid, diester with 1,2,3-propanetriol

Chemical Property:

• PSA: 72.83000
• LogP: 1.03390
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 232.13107373
• Heavy Atom Count: 16
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCC(COC(=O)CCC)O

Technology Process of Butanoic acid, diester with 1,2,3-propanetriol

There total 6 articles about Butanoic acid, diester with 1,2,3-propanetriol 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) + butyric acid (107-92-6) → 1-monobutyrin (557-25-5) + 1,3-dibutanoyloxy-2-propanol (17364-00-0)

Guidance literature:

With Ag⁽¹⁺⁾*2H⁽¹⁺⁾*PW₁₂O₄₀^(3-)=AgH₂PW₁₂O₄₀; at 120 ℃; for 0.25h; Autoclave; Green chemistry;

DOI:10.1016/j.jcat.2013.06.026

Reference yield:

tributyrin (60-01-5) → 1-monobutyrin (557-25-5) + β-dibutyrin (30403-46-4,96739-06-9,101469-20-9,24814-35-5) + 1,3-dibutanoyloxy-2-propanol (17364-00-0)

Guidance literature:

With lamb pregastric lipase; at 35 ℃; for 0.35h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; emulsifier, pH 7.o1;

DOI:10.1071/C97212

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + butyric acid (107-92-6) → tributyrin (60-01-5) + 1-monobutyrin (557-25-5) + β-dibutyrin (30403-46-4,96739-06-9,101469-20-9,24814-35-5) + 2-monobutyroylglycerol (70916-53-9) + 1,3-dibutanoyloxy-2-propanol (17364-00-0)

Guidance literature:

at 115 ℃; for 24h;

DOI:10.1039/c5cy00059a

upstream raw materials:

tributyrin

ethanol

glycerol

butyric acid

Downstream raw materials:

Butyric acid 2-[2-(4-allyloxy-3-chloro-phenyl)-acetoxy]-3-butyryloxy-propyl ester

1,3-dibutyroyl-2-oleoylglycerol

2-(5-phenylpentanoyloxy)propane-1,3-diyl dibutyrate

1,3-dibutyryl-2-palmitoylglycerol