1-Ethoxy-3-methylbutane

Base Information

• Chemical Name: 1-Ethoxy-3-methylbutane
• CAS No.: 628-04-6
• Molecular Formula: C7H16O
• Molecular Weight: 116.203
• Hs Code.: 2909199090
• DSSTox Substance ID: DTXSID60211877
• Nikkaji Number: J134.743H
• Wikidata: Q83086877
• Mol file: 628-04-6.mol

Synonyms:1-Ethoxy-3-methylbutane;Ethyl isopentyl ether;Ethyl isoamyl ether;628-04-6;Isopentyl ethyl ether;Butane, 1-ethoxy-3-methyl-;Ether, ethyl isopentyl;Butane, 1-ethoxy-3-methyl- (9CI);BRN 1731792;4-01-00-01681 (Beilstein Handbook Reference);Athyl-isoamylather;Ethylisopentyl ether;SCHEMBL12150;ethyl 3-methyl-1-butyl ether;DTXSID60211877;LS-67837

Chemical Property of 1-Ethoxy-3-methylbutane

Chemical Property:

• Vapor Pressure: 25.6mmHg at 25°C
• Melting Point: -95.35°C (estimate)
• Refractive Index: 1.3904 (estimate)
• Boiling Point: 112.5°Cat760mmHg
• Flash Point: 9°C
• PSA: 9.23000
• Density: 0.77g/cm³
• LogP: 2.06900
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 41.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCC(C)C

Technology Process of 1-Ethoxy-3-methylbutane

There total 3 articles about 1-Ethoxy-3-methylbutane 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: 50.0%

isopentyl iodide (541-28-6) → 1-ethoxy-3-methyl-butane (628-04-6) + 3-Methyl-1-butene (563-45-1)

Guidance literature:

With triethylbenzylammonium ethanolate; at 20 - 25 ℃; for 1h;

Reference yield: 2.2%

triethylbenzylammonium ethanolate (95903-96-1) + i-pentyl bromide (107-82-4) → 1-ethoxy-3-methyl-butane (628-04-6) + 3-Methyl-1-butene (563-45-1)

Guidance literature:

at 20 - 25 ℃; for 1h;

Reference yield:

1-chloro-3-methylbutane (107-84-6) → 1-ethoxy-3-methyl-butane (628-04-6) + 3-Methyl-1-butene (563-45-1)

Guidance literature:

upstream raw materials:

isopentyl iodide

triethylbenzylammonium ethanolate

i-pentyl bromide

1-chloro-3-methylbutane

Downstream raw materials:

2-methyl-but-2-ene

3-Methyl-1-butene

Ethyl isovalerate

acetaldehyde