2-Hexyl-2-methyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Hexyl-2-methyl-1,3-dioxolane
• CAS No.: 937-94-0
• Molecular Formula: C10H20 O2
• Molecular Weight: 172.268
• Hs Code.: 2932999099
• European Community (EC) Number: 213-335-4
• DSSTox Substance ID: DTXSID0061329
• Nikkaji Number: J298.531D
• Wikidata: Q81989410
• Mol file: 937-94-0.mol

Synonyms:2-Hexyl-2-methyl-1,3-dioxolane;937-94-0;1,3-Dioxolane, 2-hexyl-2-methyl-;Methyl hexyl ketone ethylene ketal;EINECS 213-335-4;AI3-22548;SCHEMBL3790700;DTXSID0061329;FT-0748323

Chemical Property of 2-Hexyl-2-methyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 0.528mmHg at 25°C
• Boiling Point: 197.6°Cat760mmHg
• Flash Point: 69.8°C
• PSA: 18.46000
• Density: 0.893g/cm³
• LogP: 2.71980
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1(OCCO1)C

Technology Process of 2-Hexyl-2-methyl-1,3-dioxolane

There total 8 articles about 2-Hexyl-2-methyl-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: 97.0%

2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane (7381-30-8) + hexyl-methyl-ketone (111-13-7) → 2-methyl-2-hexyl-1,3-dioxolane (937-94-0)

Guidance literature:

With lithium perchlorate; In dichloromethane; for 0.333333h; Ambient temperature; electrolysis (platinum electrodes, 10 V, 0.4-0.5 mA);

DOI:10.1246/cl.1983.1349

Reference yield: 92.0%

ethylene glycol (107-21-1) + hexyl-methyl-ketone (111-13-7) → 2-methyl-2-hexyl-1,3-dioxolane (937-94-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene;

DOI:10.1021/jo00077a060

Reference yield: 70.0%

n-octyne (629-05-0) + ethylene glycol (107-21-1) → 2-methyl-2-hexyl-1,3-dioxolane (937-94-0) + 2-chloro-oct-1-ene (31283-43-9)

Guidance literature:

With triisopropyl phosphite; zirconium(IV) chloride; [Ir(1,5-cyclooctadiene)2]PF₆; In 1,4-dioxane; at 100 ℃; for 15h;

DOI:10.1016/j.tet.2005.12.010

upstream raw materials:

ethylene glycol

hexyl-methyl-ketone

oxirane

2-methyl-1,3-dioxolane

Downstream raw materials:

hexyl-methyl-ketone

hexane

2-hydroxyethyl acetate

5-Hexyl-1,2,4-benzenetricarbonitrile

Refernces

• 1、 Hirabayashi, Tomotaka,Okimoto, Yoshio,Saito, Akiyo,Morita, Masao,Sakaguchi, Satoshi,Ishii, Yasutaka. "Iridium complex-catalyzed addition of water and alcohols to non-activated terminal alkynes". . p. 2231 - 2234. Retrieved 2007/10/03.
• 2、 Torok, Daniel S.,Figueroa, John J.,Scott, William J.. "1,3-Dioxolane Formation via Lewis Acid-Catalyzed Reaction of Ketones with Oxiranes". . p. 7274 - 7276. Retrieved 2007/10/02.