2-methyl-1-(propan-2-yloxy)propane

Base Information

• Chemical Name: 2-methyl-1-(propan-2-yloxy)propane
• CAS No.: 78448-33-6
• Molecular Formula: C7H16O
• Molecular Weight: 116.203
• DSSTox Substance ID: DTXSID70999775
• Nikkaji Number: J567.202C
• Wikidata: Q82993043
• Mol file: 78448-33-6.mol

Synonyms:isobutyl isopropyl ether;1-isopropoxy-2-methyl-propane;Isopropyl isobutyl ether;

Chemical Property of 2-methyl-1-(propan-2-yloxy)propane

Chemical Property:

• Vapor Pressure: 44.448mmHg at 25°C
• Melting Point: -95.35°C (estimate)
• Refractive Index: 1.3876 (estimate)
• Boiling Point: 99.21oC at 760 mmHg
• Flash Point: 3.308oC
• PSA: 9.23000
• Density: 0.769g/cm3
• LogP: 2.06740
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 48.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(C)C

Technology Process of 2-methyl-1-(propan-2-yloxy)propane

There total 2 articles about 2-methyl-1-(propan-2-yloxy)propane 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: 22.0%

carbon monoxide (201230-82-2) + isopropyl alcohol (67-63-0,8013-70-5) → i-Amyl alcohol (123-51-3) + 2-methyl-propan-1-ol (78-83-1) + di-isopropyl ether (108-20-3) + 1-isopropoxy-2-methyl-propane (78448-33-6)

Guidance literature:

With hydrogen; Cobalt rhodium; iodine; at 200 ℃; for 2h; under 315025 Torr; Product distribution; other promoter, other pressure;

DOI:10.1016/0022-328X(88)80121-9

Reference yield:

isopropyl alcohol (67-63-0,8013-70-5) + 2-Nitro-benzenesulfonic acid isobutyl ester → 1-isopropoxy-2-methyl-propane (78448-33-6)

Guidance literature:

at 40 - 70 ℃; Rate constant; Thermodynamic data; E_a, ΔF(excit.), ΔH(excit.), -ΔS(excit.);

Reference yield:

1-isopropoxy-2-methyl-propane (78448-33-6) → isopropyl nitrate (1712-64-7) + isopropyl formate (625-55-8) + 2-methylpropyl acetate (110-19-0) + acetic acid-(β-hydroxy-isobutyl ester) (42125-48-4) + isobutyraldehyde (78-84-2) + acetone (67-64-1)

Guidance literature:

With air; methyl nitrite; nitric oxide; Product distribution; Rate constant; Mechanism; Ambient temperature; Irradiation; OH radical initiated oxidation of title comp. under laboratory conditions related to troposphere;

DOI:10.1039/a701766i

upstream raw materials:

carbon monoxide

isopropyl alcohol

Downstream raw materials:

isopropoxide

i-butoxide

isopropyl nitrate

isopropyl formate

Refernces

• 1、 Jenner, Gerard. "Hydrocarbonylation of linear and branched aliphatic C2-C4 alcohols catalyzed by cobalt-ruthenium systems. A comparative study.". . p. 237 - 252. Retrieved 2007/10/02.