2-hydroxypropane-1,3-diyl diacetate

Base Information

• Chemical Name: 2-hydroxypropane-1,3-diyl diacetate
• CAS No.: 105-70-4
• Molecular Formula: C7H12 O5
• Molecular Weight: 176.169
• Hs Code.: 2915390090
• European Community (EC) Number: 203-323-7
• UNII: G45CU3Z186
• DSSTox Substance ID: DTXSID90146906
• Nikkaji Number: J5.047D
• Wikidata: Q27278722
• Mol file: 105-70-4.mol

Synonyms:Acetin,1,3-di- (6CI,7CI,8CI); 1,3-Diacetin; 1,3-Diacetoxy-2-propanol; Glycerine1,3-diacetate; Glycerol 1,3-diacetate

Chemical Property of 2-hydroxypropane-1,3-diyl diacetate

Chemical Property:

• Vapor Pressure: 0.00193mmHg at 25°C
• Refractive Index: 1.4395 (estimate)
• Boiling Point: 259.1°Cat760mmHg
• PKA: 13.14±0.20(Predicted)
• Flash Point: 100.2°C
• PSA: 72.83000
• Density: 1.182g/cm³
• LogP: -0.52650
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 176.06847348
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

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

1,3-Diacetin(Technicalgrade,~50%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(COC(=O)C)O
• Uses: 1,3-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 2-hydroxypropane-1,3-diyl diacetate

There total 53 articles about 2-hydroxypropane-1,3-diyl 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:

1,3-diacetoxy-2-hydroxy-2-pivaloylpropane (188637-15-2) → 2-hydroxypropane-1,3-diyl diacetate (105-70-4) + Acetol acetate (592-20-1)

Guidance literature:

With 2-methylpropan-2-thiol; In methanol; at 25 ℃; Title compound not separated from byproducts; Photolysis;

DOI:10.1021/ja9641416

Reference yield:

methanol (67-56-1) + triacetylglycerol (102-76-1) → 2-hydroxypropane-1,3-diyl diacetate (105-70-4) + Glycerin-monoacetat (93713-40-7) + acetic acid methyl ester (79-20-9) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0)

Guidance literature:

With sulfated zirconium oxide catalyst; at 119.84 ℃; Concentration; Temperature; Catalytic behavior; Kinetics; Autoclave;

DOI:10.1002/aocs.12085

upstream raw materials:

1,3-Dichloro-2-propanol

sodium acetate

triacetylglycerol

acetic anhydride

Downstream raw materials:

triacetylglycerol

2-(3-Benzoyl-phenyl)-propionic acid 2-acetoxy-1-acetoxymethyl-ethyl ester

(4-Allyloxy-3-chloro-phenyl)-acetic acid 2-acetoxy-1-acetoxymethyl-ethyl ester

3-formyloxy-propene

Refernces

• 1、 Achazi, Katharina,B?ttcher, Christoph,Haag, Rainer,Krishna,Parshad, Badri,Sharma, Sunil K.. "Newer Non-ionic A2B2-Type Enzyme-Responsive Amphiphiles for Drug Delivery". . p. 1457 - 1466. Retrieved 2021.
• 2、 Morita,Oae. "". . p. 1347. Retrieved 1969.
• 3、 Khan, Abdullah,Prasad, Suchita,Parmar, Virinder S.,Sharma, Sunil K.. "Design and Synthesis of Novel Triazolyl Benzoxazine Derivatives and Evaluation of Their Antiproliferative and Antibacterial Activity". . p. 1264 - 1275. Retrieved 2016.
• 4、 Singh, Abhishek K.,Thota, Bala N. S.,Schade, Boris,Achazi, Katharina,Khan, Abdullah,B?ttcher, Christoph,Sharma, Sunil K.,Haag, Rainer. "Aggregation Behavior of Non-ionic Twinned Amphiphiles and Their Application as Biomedical Nanocarriers". . p. 1796 - 1806. Retrieved 2017.
• 5、 Rashmi,Singh, Abhishek K.,Achazi, Katharina,Schade, Boris,B?ttcher, Christoph,Haag, Rainer,Sharma, Sunil K.. "Synthesis of non-ionic bolaamphiphiles and study of their self-assembly and transport behaviour for drug delivery applications". . p. 31777 - 31782. Retrieved 2018.
• 6、 Catarino, Mónica,Gomes Fonseca, Frederico,Gomes, Jo?o,Soares Dias, Ana Paula. "Biodiesel Glycerin Valorization into Oxygenated Fuel Additives". . . Retrieved 2021/05/26.
• 7、 Hou, Zhaoyin,Jiang, Yuanyuan,Long, Yihua,Wang, Zhengbao,Ye, Boyong,Zhao, Huaiyuan,Zhou, Ruru. "A highly active and stable organic-inorganic combined solid acid for the transesterification of glycerol under mild conditions". . p. 1772 - 1781. Retrieved 2021/06/28.