Phenyl valerate

Base Information

Chemical Name:Phenyl valerate
CAS No.:20115-23-5
Molecular Formula:C11H14O2
Molecular Weight:178.231
Hs Code.:2915600000
European Community (EC) Number:243-521-0
DSSTox Substance ID:DTXSID50173930
Nikkaji Number:J113.634H
Wikidata:Q83043973
Mol file:20115-23-5.mol

Synonyms:phenyl valerate

Suppliers and Price of Phenyl valerate

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

Usbiological
Phenyl
250mg
$ 460.00

Usbiological
Phenyl
5mg
$ 382.00

American Custom Chemicals Corporation
PHENYL VALERATE 95.00%
5MG
$ 502.10

Total 12 raw suppliers

Chemical Property of Phenyl valerate

Chemical Property:

Vapor Pressure:0.0228mmHg at 25°C
Refractive Index:1.494
Boiling Point:249.5 °C at 760 mmHg
Flash Point:95.2 °C
PSA：26.30000
Density:1.009 g/cm³
LogP:2.78220
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:148

Purity/Quality:

98%Min ^*data from raw suppliers

Phenyl ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Esters, Other
Canonical SMILES:CCCCC(=O)OC1=CC=CC=C1
Uses Labelled intermediate for the synthesis of Ritalinic Acid-d10.

Technology Process of Phenyl valerate

There total 14 articles about Phenyl valerate 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: 99.0%

: 109-65-9
1-bromo-butane

: 201230-82-2
carbon monoxide

: 108-95-2,27073-41-2
phenol

: 20115-23-5
phenyl valerate

Guidance literature:: With rhodium(III) chloride; 1,3-bis-(diphenylphosphino)propane; sodium carbonate; sodium iodide; In 1,4-dioxane; at 120 ℃; for 24h; under 750.075 Torr; chemoselective reaction; Inert atmosphere;
DOI:10.1021/acscatal.0c00933

Reference yield: 98.0%

: 638-29-9
n-valeryl chloride

: 108-95-2,27073-41-2
phenol

: 20115-23-5
phenyl valerate

Guidance literature:: With trifluorormethanesulfonic acid; In acetonitrile; at 20 ℃; for 1h;
DOI:10.1016/j.tet.2010.11.047

Reference yield: 96.0%

: 542-69-8
1-iodo-butane

: 201230-82-2
carbon monoxide

: 108-95-2,27073-41-2
phenol

: 20115-23-5
phenyl valerate

Guidance literature:: With rhodium(III) chloride; 1,3-bis-(diphenylphosphino)propane; sodium carbonate; sodium bromide; In 1,4-dioxane; at 120 ℃; for 24h; under 750.075 Torr; Reagent/catalyst; Concentration; chemoselective reaction; Inert atmosphere;
DOI:10.1021/acscatal.0c00933