5-Methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane

Base Information

• Chemical Name: 5-Methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane
• CAS No.: 80480-24-6
• Deprecated CAS: 413621-37-1
• Molecular Formula: C13H26 O2
• Molecular Weight: 214.348
• European Community (EC) Number: 279-482-1
• DSSTox Substance ID: DTXSID70868578
• Nikkaji Number: J320.281J
• Mol file: 80480-24-6.mol

Synonyms:80480-24-6;5-Methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane;EINECS 279-482-1;1,3-Dioxane, 5-methyl-2-(1-methylbutyl)-5-propyl-;1,3-Dioxane,5-methyl-2-(1-methylbutyl)-5-propyl-;5-Methyl-5-propyl-2-(1-methylbutyl)-1,3-dioxane;Troenan;5-methyl-2-pentan-2-yl-5-propyl-1,3-dioxane;SCHEMBL226713;DTXSID70868578;5-Methyl-5-propyl-2-(1-methylbutyl)-1,3-dioxan;1,3-dioxano, 5-metil-2-(1-metilbutil)-5-propil-;2-(1-methylbutyl)-5-methyl-5-propyl-1,3-dioxane;5-Methyl-5-propyl-2-(1-methylbutyl)-1 3-dioxane;W-111549;m-Dioxane 5-methyl-2-(1-methylbutyl)-5-propyl-(6CI)

Chemical Property of 5-Methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.0336mmHg at 25°C
• Boiling Point: 250.8°C at 760 mmHg
• Flash Point: 97.5°C
• PSA: 18.46000
• Density: 0.87g/cm³
• LogP: 3.60190
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 171

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C1OCC(CO1)(C)CCC

Technology Process of 5-Methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane

There total 2 articles about 5-Methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane 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:

2-methyl-2-propyl-1,3-propanediol (78-26-2) + 2-methylvaleraldehyde (123-15-9) → 2-(1-methylbutyl)-5-methyl-5-n-propyl-1,3-dioxane (80480-24-6)

Guidance literature:

With toluene-4-sulfonic acid; orthoformic acid triethyl ester; at 20 ℃; for 1h; Product distribution / selectivity;

Reference yield:

→ 2-(1-methylbutyl)-5-methyl-5-n-propyl-1,3-dioxane (80480-24-6)

Guidance literature:

Δ v. 2-Methyl-2-propyl-propan-1,3-diol mit MoO3 (neben anderen Verbb.);

upstream raw materials:

2-methyl-2-propyl-1,3-propanediol

2-methylvaleraldehyde

Refernces