3-Phenylpropyl hexanoate

Base Information

Chemical Name:3-Phenylpropyl hexanoate
CAS No.:6281-40-9
Molecular Formula:C15H22 O2
Molecular Weight:234.338
Hs Code.:
European Community (EC) Number:228-490-3
NSC Number:404467,5984
UNII:Y50D757537
DSSTox Substance ID:DTXSID70211909
Nikkaji Number:J155.165E
Wikidata:Q27294271
Metabolomics Workbench ID:47330
Mol file:6281-40-9.mol

Synonyms:3-Phenylpropyl hexanoate;6281-40-9;3-Phenyl propyl hexanoate;3-Phenylpropyl caproate;Hexanoic acid, 3-phenylpropyl ester;Hydrocinnamyl caproate;Hydrocinnamyl hexanoate;FEMA No. 2896;UNII-Y50D757537;NSC-5984;EINECS 228-490-3;NSC-404467;Y50D757537;Hexanoic acid 3-phenylpropyl ester;3-Phenylpropyl hexanoate #;SCHEMBL3253012;DTXSID70211909;NSC5984;NSC 5984;NSC404467;AKOS015951099;NSC 404467;3-PHENYLPROPYL HEXANOATE [FHFI];Q27294271

Suppliers and Price of 3-Phenylpropyl hexanoate

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 10 raw suppliers

Chemical Property of 3-Phenylpropyl hexanoate

Chemical Property:

Vapor Pressure:0.000171mmHg at 25°C
Boiling Point:330℃
Flash Point:120℃
PSA：26.30000
Density:0.971
LogP:3.74270
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:234.161979940
Heavy Atom Count:17
Complexity:195

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(=O)OCCCC1=CC=CC=C1

Technology Process of 3-Phenylpropyl hexanoate

There total 2 articles about 3-Phenylpropyl 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: 95.0%

: 122-97-4
3-Phenyl-1-propanol

: 142-62-1
hexanoic acid

: 6281-40-9
3-phenyl-1-propyl hexanoate

Guidance literature:: Ti⁽⁴⁺⁾-montmorillonite; at 140 ℃; for 3h;
DOI:10.1016/j.tetlet.2003.10.024

Reference yield: 83.0%

: 2450-12-6
S-ethyl hexanoic acid thioester

: 122-97-4
3-Phenyl-1-propanol

: 6281-40-9
3-phenyl-1-propyl hexanoate

Guidance literature:: With tetra-(n-butyl)ammonium iodide; In acetonitrile; Ambient temperature; Pt-electrodes, 50 mA;
DOI:10.1246/cl.1990.1223