Methyl isopropyl carbonate

Base Information

• Chemical Name: Methyl isopropyl carbonate
• CAS No.: 51729-83-0
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• Hs Code.: 2920909090
• European Community (EC) Number: 680-687-7
• DSSTox Substance ID: DTXSID50427384
• Nikkaji Number: J909.204H
• Wikidata: Q82240041
• Mol file: 51729-83-0.mol

Synonyms:METHYL ISOPROPYL CARBONATE;51729-83-0;methyl propan-2-yl carbonate;isopropyl methyl carbonate;SCHEMBL113233;CH3)C(O)OCH(CH3)2;DTXSID50427384;Carbonic acid methylisopropyl ester;MFCD01075689;AKOS017343556;AS-81635;CS-0368304;FT-0628747

Chemical Property of Methyl isopropyl carbonate

Chemical Property:

• Vapor Pressure: 28mmHg at 25°C
• Refractive Index: 1.3830
• Boiling Point: 116-118°C
• Flash Point: 27°C
• PSA: 35.53000
• Density: 0,975 g/cm3
• LogP: 1.17780
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 77.7

Purity/Quality:

98%Min ^*data from raw suppliers

METHYL ISOPROPYL CARBONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)OC

Technology Process of Methyl isopropyl carbonate

There total 8 articles about Methyl isopropyl carbonate 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: 84.2%

methanol (67-56-1) + isopropyl N-hydroxycarbamate (27108-52-7) → methyl 1-methylethyl carbonate (51729-83-0) + bis-2-propyl carbonate (6482-34-4)

Guidance literature:

With lead dioxide; In dichloromethane; at 40 ℃; for 0.166667h;

DOI:10.1135/cccc19961053

Reference yield: 14.6%

methyl N-hydroxycarbamate (584-07-6) + isopropyl alcohol (67-63-0,8013-70-5) → methyl 1-methylethyl carbonate (51729-83-0) + carbonic acid dimethyl ester (616-38-6)

Guidance literature:

With lead dioxide; In dichloromethane; at 40 ℃; for 0.166667h;

DOI:10.1135/cccc19961053

Reference yield:

isopropyl alcohol (67-63-0,8013-70-5) + carbonic acid dimethyl ester (616-38-6) → methyl 1-methylethyl carbonate (51729-83-0) + bis-2-propyl carbonate (6482-34-4)

Guidance literature:

at 90 ℃; Alkaline conditions;

DOI:10.1055/s-0029-1219927

upstream raw materials:

sodium methyl carbonate

sodium methylate

butyric acid

methanol

Downstream raw materials:

methyl N-(2-phenylethyl)carbamate

isopropyl N-(2-phenylethyl)carbamate

isopropoxybenzene

methoxybenzene

Refernces

• 1、 Mindl, Jaromir,Halama, Ales,Cernosek, Zdenek. "Alkoxycarbonylation of alcohols and phenols by nitrosoformates". . p. 1053 - 1063. Retrieved 2007/10/03.