2-tert-Butoxypropan-1-ol

Base Information

• Chemical Name: 2-tert-Butoxypropan-1-ol
• CAS No.: 94023-15-1
• Molecular Formula: C7H16 O2
• Molecular Weight: 132.203
• Hs Code.: 2909499000
• European Community (EC) Number: 301-611-8
• DSSTox Substance ID: DTXSID80869177
• Nikkaji Number: J348.986H
• Mol file: 94023-15-1.mol

Synonyms:2-tert-Butoxypropan-1-ol;94023-15-1;2-(tert-butoxy)propan-1-ol;2-[(2-methylpropan-2-yl)oxy]propan-1-ol;2-(1,1-Dimethylethoxy)-1-propanol;SCHEMBL225306;DTXSID80869177;1-Propanol, 2-(1,1-dimethylethoxy)-;NS00064016;EN300-5230222

Chemical Property of 2-tert-Butoxypropan-1-ol

Chemical Property:

• Vapor Pressure: 1.19mmHg at 25°C
• Melting Point: -15.45°C (estimate)
• Refractive Index: 1.4196 (estimate)
• Boiling Point: 154.1°Cat760mmHg
• Flash Point: 49.5°C
• PSA: 29.46000
• Density: 0.89g/cm³
• LogP: 1.18230
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Hexanes (Slightly)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 132.115029749
• Heavy Atom Count: 9
• Complexity: 73.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)OC(C)(C)C
• Uses: 2-(1,1-Dimethylethoxy)-1-propanol is a useful reagent for organic synthesis.

Technology Process of 2-tert-Butoxypropan-1-ol

There total 5 articles about 2-tert-Butoxypropan-1-ol 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) + tert-butyl alcohol (75-65-0) → 2-tert-butoxy-1-propanol (94023-15-1) + 1-tert-butoxy-2-propanol (57018-52-7)

Guidance literature:

With trigonal Mo-V-O oxide; at 100 ℃; for 12h;

DOI:10.1039/c6ra10212c

Reference yield:

2-<2-(2-hydroxypropoxy)-ethyl>-4-methyl-1,3-dioxolane (89769-15-3) + tert-butyl alcohol (75-65-0) → 2-tert-butoxy-1-propanol (94023-15-1) + 1-tert-butoxy-2-propanol (57018-52-7) + 1,2-di-tert-butoxypropane (80762-96-5) + cis-2-(2-tert-butoxyethyl)-4-methyl-1,3-dioxolane

Guidance literature:

With sulfuric acid; for 5h; Further byproducts given; Heating;

Reference yield:

2-<2-(2-hydroxypropoxy)-ethyl>-4-methyl-1,3-dioxolane (89769-15-3) + tert-butyl alcohol (75-65-0) → 2-tert-butoxy-1-propanol (94023-15-1) + 1-tert-butoxy-2-propanol (57018-52-7) + 1,2-di-tert-butoxypropane (80762-96-5) + trans-2-(2-tert-butoxyethyl)-4-methyl-1,3-dioxolane

Guidance literature:

With sulfuric acid; for 5h; Further byproducts given; Heating;

upstream raw materials:

propylene glycol

isobutene

methyloxirane

tert-butyl alcohol

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