Butyl methyl carbonate

Base Information

• Chemical Name: Butyl methyl carbonate
• CAS No.: 4824-75-3
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• European Community (EC) Number: 859-626-5
• DSSTox Substance ID: DTXSID30576925
• Nikkaji Number: J1.290.586F
• Wikidata: Q82466805
• Mol file: 4824-75-3.mol

Synonyms:butyl methyl carbonate;4824-75-3;METHYL BUTYL CARBONATE;butylmethylcarbonate;n-Butoxy methyl formate;SCHEMBL130449;DTXSID30576925;AKOS033744995;EN300-206705;G48247;Z1238573230

Chemical Property of Butyl methyl carbonate

Chemical Property:

• Boiling Point: 150.5 °C(Press: 745 Torr)
• PSA: 35.53000
• Density: 0.961±0.06 g/cm3(Predicted)
• LogP: 1.56950
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 80.4

Purity/Quality:

99%, ^*data from raw suppliers

butylmethylcarbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)OC

Technology Process of Butyl methyl carbonate

There total 2 articles about Butyl methyl 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: 51.5%

methyl N-hydroxycarbamate (584-07-6) + butan-1-ol (71-36-3) → n-butyl methyl carbonate (4824-75-3) + 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:

carbonic acid dimethyl ester (616-38-6) + butan-1-ol (71-36-3) → n-butyl methyl carbonate (4824-75-3) + Dibutyl carbonate (542-52-9)

Guidance literature:

at 80 ℃; for 4h; Temperature; Catalytic behavior; Autoclave;

DOI:10.1016/j.molcata.2014.11.022

Reference yield:

n-butyl methyl carbonate (4824-75-3) + phenol (108-95-2,27073-41-2) → n-butyl phenyl ether (1126-79-0) + methoxybenzene (100-66-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 15h; Title compound not separated from byproducts;

DOI:10.1055/s-2000-6488

upstream raw materials:

methyl N-hydroxycarbamate

butan-1-ol

carbonic acid dimethyl ester

Downstream raw materials:

n-butyl phenyl ether

methoxybenzene

methanol

1-butylene

Refernces

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