Dimethyldioxane

Base Information

• Chemical Name: Dimethyldioxane
• CAS No.: 15176-21-3
• Deprecated CAS: 1331-15-3
• Molecular Formula: C6H12 O2
• Molecular Weight: 116.16
• Hs Code.: 2934999090
• European Community (EC) Number: 246-646-9,864-612-7
• UN Number: 2707
• DSSTox Substance ID: DTXSID90927939
• Nikkaji Number: J130.632D
• Mol file: 15176-21-3.mol

Synonyms:dimethyldioxane

Chemical Property of Dimethyldioxane

Chemical Property:

• Vapor Pressure: 10mmHg at 25°C
• Melting Point: -4.5 °C
• Boiling Point: 134.4°Cat760mmHg
• Flash Point: 34.8°C
• PSA: 18.46000
• Density: 0.903g/cm³
• LogP: 0.81020
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 62.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%, ^*data from raw suppliers

2,5-DIMETHYL-1,4-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COC(CO1)C

Technology Process of Dimethyldioxane

There total 10 articles about Dimethyldioxane 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:

methyloxirane (75-56-9,16033-71-9) → 2-methyl-[1,3]dioxane (626-68-6) + 2,2,4-trimethyl-1,3-dioxolane (1193-11-9,116944-25-3) + 2-ethyl-4-methyl-1,3-dioxolane (4359-46-0) + 2-methyl-1,3-pentanediol (149-31-5) + 1-Propyl acetate (109-60-4) + prop-2-enyl propanoate (2408-20-0) + 1,2-diacetoxypropane (623-84-7,134236-23-0) + carbon dioxide (124-38-9,18923-20-1) + 2,5-dimethyl-1,4-dioxane (15176-21-3) + acetaldehyde (75-07-0,9002-91-9) + allyl alcohol (107-18-6) + dimethylglyoxal (431-03-8) + 4-methyl-1,3-dioxolane (1072-47-5) + crotonaldehyde (123-73-9,4170-30-3)

Guidance literature:

With FeNi layered double hydroxide/graphene oxide; at 210 ℃; for 0.0277778h; Reagent/catalyst; Temperature; Wavelength; Catalytic behavior; Flow reactor; Irradiation;

DOI:10.1039/d1nj01411k

Reference yield:

methyloxirane (75-56-9,16033-71-9) → 2-ethyl-4-methyl-1,3-dioxolane (4359-46-0) + 2,6-dimethyl-[1,4]dioxane (10138-17-7) + 2,5-dimethyl-1,4-dioxane (15176-21-3)

Guidance literature:

With triphenylmethylium hexafluoridoarsenate; In 1,2-dichloro-ethane; at 25 ℃; for 3h; Rate constant; other initiators;

Reference yield:

propylene glycol (57-55-6,63625-56-9) → 2-ethyl-4-methyl-1,3-dioxolane (4359-46-0) + 2,5-dimethyl-1,4-dioxane (15176-21-3) + propionaldehyde (123-38-6)

Guidance literature:

With silica-alumina; hydrogen; at 300 ℃; for 5h; Reagent/catalyst; Catalytic behavior;

DOI:10.1246/cl.131106

upstream raw materials:

methyloxirane

propylene glycol

sulfuric acid

1,2-dimethoxyethane

Refernces

• 1、 Li, Ming,Hu, Yufei,Li, Gongke. "A study on the cataluminescence of propylene oxide on FeNi layered double hydroxides/graphene oxide". . p. 11823 - 11830. Retrieved 2021/07/11.
• 2、 Marchetti, Fabio,Pampaloni, Guido,Zacchini, Stefano. "From 1,2-dialkoxyalkanes to 1,4-dioxanes. A transformation mediated by NbCl5via multiple C-O bond cleavage at room temperature". body text. p. 3651 - 3653. Retrieved 2009/02/05.