Hydratropic acid, hexyl ester

Base Information

Chemical Name:Hydratropic acid, hexyl ester
CAS No.:5431-31-2
Molecular Formula:C14H20O3
Molecular Weight:236.311
Hs Code.:
DSSTox Substance ID:DTXSID401031636
Nikkaji Number:J184.055J

Synonyms:Hydratropic acid, hexyl ester;SCHEMBL2294971;LARAVRJCBZOBAA-UHFFFAOYSA-N;DTXSID401031636

Suppliers and Price of Hydratropic acid, hexyl ester

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 8 raw suppliers

Chemical Property of Hydratropic acid, hexyl ester

Chemical Property:

Vapor Pressure:2.48E-05mmHg at 25°C
Boiling Point:344.6°C at 760 mmHg
Flash Point:138.2°C
Density:1.059g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:234.161979940
Heavy Atom Count:17
Complexity:207

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCOC(=O)C(C)C1=CC=CC=C1

Technology Process of Hydratropic acid, hexyl ester

There total 2 articles about Hydratropic acid, hexyl ester 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: 97.0%

: 611-71-2,611-72-3,17199-29-0,90-64-2
MANDELIC ACID

: 111-27-3
hexan-1-ol

: 5431-31-2
α-hydroxyphenylacetic acid hexyl ester

Guidance literature:: With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran); In neat (no solvent); at 80 ℃; chemoselective reaction; Sealed tube; Green chemistry;
DOI:10.1039/c7gc02174g

Reference yield:

: 5431-31-2
α-hydroxyphenylacetic acid hexyl ester

Guidance literature:: /BRN= 3133179/;
DOI:10.1021/jo01369a001

Reference yield: 28.0%

: 5431-31-2
α-hydroxyphenylacetic acid hexyl ester

: 1204694-61-0
(R)-α-hydroxyphenylacetic acid hexyl ester

: 31197-65-6
hexyl 2-oxo-2-phenylacetate

Guidance literature:: With 2,2,6,6-tetramethyl-piperidine-N-oxyl; N,N’-bis(salicylidene)-1,1’-binaphthyl-2,2’-diamine; oxygen; cobalt(II) diacetate tetrahydrate; In toluene; at 90 ℃; for 14h; under 760.051 Torr; optical yield given as %ee; enantioselective reaction;
DOI:10.1039/c0cc01917h