sec-Butyl hexanoate

Base Information Edit

Chemical Name:sec-Butyl hexanoate
CAS No.:820-00-8
Molecular Formula:C10H20 O2
Molecular Weight:172.268
Hs Code.:
DSSTox Substance ID:DTXSID101020157
Wikidata:Q106618621
Mol file:820-00-8.mol

Synonyms:sec-Butyl hexanoate;butan-2-yl hexanoate;2-Butyl hexanoate;820-00-8;sec-Butyl caproate;SCHEMBL2700361;XVTUSVZMEFPBMT-UHFFFAOYSA-N;DTXSID101020157;Hexanoic acid, 1-methylpropyl ester;NS00126760

Suppliers and Price of sec-Butyl hexanoate

Supply Marketing:Edit

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 2 raw suppliers

Chemical Property of sec-Butyl hexanoate Edit

Chemical Property:

PSA：26.30000
LogP:2.90840
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Heavy Atom Count:12
Complexity:121

Purity/Quality:: 98.5% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of sec-Butyl hexanoate

There total 2 articles about sec-Butyl hexanoate 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: 79.0%