1-Methylbutyl propionate

Base Information

Chemical Name:1-Methylbutyl propionate
CAS No.:54004-43-2
Molecular Formula:C8H16O2
Molecular Weight:144.21100
Hs Code.:2915509000
DSSTox Substance ID:DTXSID20334652
Nikkaji Number:J101.335A
Mol file:54004-43-2.mol

Synonyms:2-Pentanol, propanoate;1-Methylbutyl propionate;2-Pentyl propionate;54004-43-2;2-Pentanol propanoate;1-Methylbutyl propionate #;SCHEMBL880131;DTXSID20334652;Propanoic acid, 1-methylbutyl ester

Suppliers and Price of 1-Methylbutyl propionate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 1-Methylbutyl propionate

Chemical Property:

Melting Point:-70.1°C (estimate)
Refractive Index:1.3974 (estimate)
Boiling Point:162.84°C (estimate)
PSA：26.30000
Density:0.8836 (estimate)
LogP:2.12820
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.115029749
Heavy Atom Count:10
Complexity:99.4

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(C)OC(=O)CC

Technology Process of 1-Methylbutyl propionate

There total 14 articles about 1-Methylbutyl propionate 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: 97.4%

: 137-32-6
(+/-)-2-methyl-1-butanol

: 802294-64-0,79-09-4
propionic acid

: 54004-43-2
sec-amyl propionate

Guidance literature:: With Rhizomucor miehei lipase; In n-heptane; at 40 ℃; for 24h; Enzymatic reaction;

Reference yield: 91.0%

: 6032-29-7,13403-73-1
(+/-)-2-pentanol

: 123-62-6
propionic acid anhydride

: 54004-43-2
sec-amyl propionate

Guidance literature:: With Cl^(1-)*C₅H₁₄NO⁽¹⁺⁾*3ZnCl₂; In neat (no solvent); at 20 ℃; for 0.5h; Green chemistry;
DOI:10.1039/c6ra22757k

Reference yield:

: 6032-29-7,13403-73-1
(+/-)-2-pentanol

: 554-12-1
propanoic acid methyl ester

: 54004-43-2
sec-amyl propionate

Guidance literature:: With Candida antarctica lipase B Leu₂₇₈Val mutant; at 44.84 ℃; enantioselective reaction; Solid/gas rector; Enzymatic reaction;
DOI:10.1016/j.molcatb.2010.01.007