1-Phenylethyl hexanoate

Base Information

Chemical Name:1-Phenylethyl hexanoate
CAS No.:3460-45-5
Molecular Formula:C14H20 O2
Molecular Weight:220.312
Hs Code.:
DSSTox Substance ID:DTXSID50956104
Nikkaji Number:J155.067E
Mol file:3460-45-5.mol

Synonyms:1-phenylethyl hexanoate;3460-45-5;Styralyl hexanoate;Hexanoic acid, 1-phenylethyl ester;Hexanoic acid 1-phenylethyl ester;SCHEMBL6467147;DTXSID50956104;AKOS015951100;Hexanoic acid, .alpha.-methylbenzyl ester

Suppliers and Price of 1-Phenylethyl 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 5 raw suppliers

Chemical Property of 1-Phenylethyl hexanoate

Chemical Property:

Vapor Pressure:0.00282mmHg at 25°C
Boiling Point:285.3°C at 760 mmHg
Flash Point:100.4°C
PSA：26.30000
Density:0.976g/cm³
LogP:3.87110
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:220.146329876
Heavy Atom Count:16
Complexity:195

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(=O)OC(C)C1=CC=CC=C1

Technology Process of 1-Phenylethyl hexanoate

There total 3 articles about 1-Phenylethyl 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: 56.0%

: 100-41-4,27536-89-6
ethylbenzene

: 142-62-1
hexanoic acid

: 3460-45-5
1-phenylethyl hexanoate

Guidance literature:: With tetra-(n-butyl)ammonium iodide; In water; at 80 ℃; for 8h;
DOI:10.1002/adsc.201100920

Reference yield: 49.0%

: 6378-65-0
n-hexyl caproate

: 98-85-1,13323-81-4
1-Phenylethanol

: 3460-45-5
1-phenylethyl hexanoate

: 98-86-2
acetophenone

Guidance literature:: With carbonylhydrido[6-(di-tert-butylphosphinomethylene)-2-(N,N-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(II); In toluene; for 36h; Inert atmosphere; Reflux;
DOI:10.1002/adsc.201000663

Reference yield:

: 98-85-1,13323-81-4
1-Phenylethanol

: 111-27-3
hexan-1-ol

: 6378-65-0
n-hexyl caproate

: 3460-45-5
1-phenylethyl hexanoate

Guidance literature:: With C₂₀H₃₁N₂OPRu; In toluene; at 135 ℃; for 26h; Inert atmosphere; Glovebox; Neutral conditions;
DOI:10.1002/adsc.201200438