1,2,3-Propanetriol, diacetate

Base Information

• Chemical Name: 1,2,3-Propanetriol, diacetate
• CAS No.: 102-62-5
• Deprecated CAS: 101364-64-1,1300-63-6,29860-16-0,1202865-19-7
• Molecular Formula: C7H12 O5
• Molecular Weight: 176.169
• Hs Code.: 2915390090
• European Community (EC) Number: 246-941-2
• NSC Number: 2348
• UNII: 9W955270ZW
• DSSTox Substance ID: DTXSID70883105
• Nikkaji Number: J5.009A
• Wikipedia: Glyceryl_diacetate
• Wikidata: Q24300357
• Mol file: 102-62-5.mol

Synonyms:1,2-diacylglycerol

Chemical Property of 1,2,3-Propanetriol, diacetate

Chemical Property:

• Vapor Pressure: 0.00665mmHg at 25°C
• Melting Point: 40°C
• Refractive Index: 1.4350 (estimate)
• Boiling Point: 240.3°Cat760mmHg
• PKA: 13.97±0.10(Predicted)
• Flash Point: 90.7°C
• PSA: 72.83000
• Density: 1.182g/cm³
• LogP: -0.52650
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 176.06847348
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OCC(CO)OC(=O)C
• Uses: 1,2-Diacetin is a derivative of Triacetin (T720850) which is used as a food additive and flavorings. Triacetin can be used as an excipient in pharmaceutical products where it is used as a humectant, a plasticizer, and as a solvent. Triacetin can also be used as a fuel additive as an antiknock agent.

Technology Process of 1,2,3-Propanetriol, diacetate

There total 34 articles about 1,2,3-Propanetriol, diacetate 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: 35.0%

carbon dioxide (124-38-9,18923-20-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + acetonitrile (75-05-8,26809-02-9) → 4-hydroxymethyl-1,3-dioxolan-2-one (931-40-8) + 2-hydroxypropane-1,3-diyl diacetate (105-70-4) + Glycerin-monoacetat (93713-40-7) + 1,2,3-propanetriol 2-acetate (62108-08-1,100-78-7) + diacetin (102-62-5)

Guidance literature:

With La₂O₃ nanocluster on zeolitic imidazolate framework-8; at 150 ℃; for 15h; under 5250.53 Torr; Catalytic behavior; Autoclave;

DOI:10.1039/d0ta12413c

Reference yield:

methanol (67-56-1) + triacetylglycerol (102-76-1) → Glycerin-monoacetat (93713-40-7) + acetic acid methyl ester (79-20-9) + diacetin (102-62-5) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0)

Guidance literature:

With polyaniline-sulfate (PANI-S); at 50 ℃; under 760.051 Torr; Concentration; Reagent/catalyst; Temperature; Time; Activation energy;

DOI:10.1016/j.apcata.2010.05.042

Reference yield:

acetic acid (64-19-7,77671-22-8) + acetone (67-64-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → (2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate (121348-86-5,14739-11-8) + 2-hydroxypropane-1,3-diyl diacetate (105-70-4) + Glycerin-monoacetat (93713-40-7) + 1,2,3-propanetriol 2-acetate (62108-08-1,100-78-7) + diacetin (102-62-5) + (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0)

Guidance literature:

With Amberlyst-15; at 30 ℃; for 24h;

DOI:10.1039/d0gc01775b

upstream raw materials:

acetyl chloride

glycerol

acetic anhydride

acetic acid

Downstream raw materials:

2-(((4-nitrophenoxy)carbonyl)oxy)propane-1,3-diyl diacetate

acetic acid methyl ester

glycerol

1,2-Di-O-acetylglycerin-3-(diphenylphosphat)

Refernces

• 1、 Silva, Leonardo N.,Gon?alves, Valter L.C.,Mota, Claudio J.A.. "Catalytic acetylation of glycerol with acetic anhydride". . p. 1036 - 1039. Retrieved 2010.
• 2、 Da Silva, Márcio José,Liberto, Natalia Aparecida,De Andrade Leles, Lorena Cristina,Pereira, Ulisses Alves. "Fe4(SiW12O40)3-catalyzed glycerol acetylation: Synthesis of bioadditives by using highly active Lewis acid catalyst". . p. 69 - 83. Retrieved 2016.
• 3、 Catarino, Mónica,Gomes Fonseca, Frederico,Gomes, Jo?o,Soares Dias, Ana Paula. "Biodiesel Glycerin Valorization into Oxygenated Fuel Additives". . . Retrieved 2021/05/26.
• 4、 Hu, Chechia,Chang, Chien-Wei,Yoshida, Masaaki,Wang, Ke-Hsuan. "Lanthanum nanocluster/ZIF-8 for boosting catalytic CO2/glycerol conversion using MgCO3as a dehydrating agent". . p. 7048 - 7058. Retrieved 2021/03/29.