2,4,5-Trimethyl-1,3-dioxolane

Base Information

• Chemical Name: 2,4,5-Trimethyl-1,3-dioxolane
• CAS No.: 3299-32-9
• Molecular Formula: C6H12 O2
• Molecular Weight: 116.16
• Hs Code.: 2932999099
• European Community (EC) Number: 221-969-8
• DSSTox Substance ID: DTXSID50863147
• Nikkaji Number: J262.402H
• Wikidata: Q27159741
• Metabolomics Workbench ID: 48963
• Mol file: 3299-32-9.mol

Synonyms:2,4,5-Trimethyl-1,3-dioxolane;3299-32-9;1,3-Dioxolane, 2,4,5-trimethyl-;EINECS 221-969-8;SCHEMBL1936758;SCHEMBL13469391;CHEBI:87572;DTXSID50863147;2,4,5-Trimethyl-1,3-dioxolane #;Q27159741

Chemical Property of 2,4,5-Trimethyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 22mmHg at 25°C
• Boiling Point: 116.1°Cat760mmHg
• Flash Point: 24.2°C
• PSA: 18.46000
• Density: 0.888g/cm³
• LogP: 1.15620
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 72.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(OC(O1)C)C

Technology Process of 2,4,5-Trimethyl-1,3-dioxolane

There total 5 articles about 2,4,5-Trimethyl-1,3-dioxolane 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: 84.0%

acetaldehyde (75-07-0,9002-91-9) + 2.3-butanediol (513-85-9) → Cyclic acetal of 2,3-butanediol (3299-32-9)

Guidance literature:

With sulfur dioxide;

Reference yield: 8.0%

acetylene (74-86-2,25067-58-7) + 2.3-butanediol (513-85-9) → 3-vinyloxy-butan-2-ol + 2,3-Bis-vinyloxy-butane (86351-12-4) + Cyclic acetal of 2,3-butanediol (3299-32-9)

Guidance literature:

With sodium hydroxide; cesium fluoride; at 138 - 142 ℃; for 3h; under 10297.1 Torr;

DOI:10.1007/s11178-005-0223-x

Reference yield:

2.3-butanediol (513-85-9) → 3-hydroxy-2-butanon (513-86-0,52217-02-4,51555-24-9) + acetaldehyde (75-07-0,9002-91-9) + acetic acid (64-19-7,77671-22-8) + dimethylglyoxal (431-03-8) + Cyclic acetal of 2,3-butanediol (3299-32-9)

Guidance literature:

With sodium iodate; phpsphate buffer (pH=6-7); at 37 ℃; Product distribution; Electrochemical oxidation,lead (IV) anode, other pH (3-9), other temperature, other concentration of 2,3-butanediol and NaIO₃, other anodes (Pt, graphite);;

DOI:10.1246/bcsj.58.201

upstream raw materials:

acetaldehyde

2.3-butanediol

ethyl vinyl ether

acetylene

Refernces

• 1、 Oparina,Khil'ko,Chernyshova,Shaikhudinova,Parshina,Preiss,Henkelmann,Trofimov. "Nucleophilic addition to acetylenes in superbasic catalytic systems: XIV. Vinilation of diols in a system CsF-NaOH". . p. 661 - 666. Retrieved 2007/10/03.