Perilla ketone

Base Information

Chemical Name:Perilla ketone
CAS No.:553-84-4
Molecular Formula:C10H14 O2
Molecular Weight:166.22
Hs Code.:2932190090
NSC Number:348407
UNII:CV69S6Y94V
DSSTox Substance ID:DTXSID10203828
Nikkaji Number:J69.495I
Wikipedia:Perilla_ketone
Wikidata:Q7168519
Metabolomics Workbench ID:46922
ChEMBL ID:CHEMBL469753
Mol file:553-84-4.mol

Synonyms:perilla ketone

Suppliers and Price of Perilla ketone

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
Perilla Ketone
25mg
$ 460.00

TRC
PerillaKetone
250mg
$ 1455.00

Medical Isotopes, Inc.
PerillaKetone
25 mg
$ 650.00

American Custom Chemicals Corporation
1-(FURAN-3-YL)-4-METHYLPENTAN-1-ONE 95.00%
5MG
$ 505.20

AK Scientific
Perillaketone
1g
$ 831.00

Total 39 raw suppliers

Chemical Property of Perilla ketone

Chemical Property:

Vapor Pressure:0.0914mmHg at 25°C
Refractive Index:nD20 1.4781
Boiling Point:224.4°Cat760mmHg
Flash Point:96.8°C
PSA：30.21000
Density:0.976g/cm³
LogP:2.89850
Storage Temp.:Amber Vial, Refrigerator, Under inert atmosphere
Solubility.:Acetone (Slightly), Chloroform (Slightly), Methanol (Sparingly)
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:166.099379685
Heavy Atom Count:12
Complexity:152

Purity/Quality:

99%, ^*data from raw suppliers

Perilla Ketone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCC(=O)C1=COC=C1
Uses Perilla Ketone is an oil from Perilla frutescens which is very toxic as it is a potent pulmonary edemagenic agent for laboratory animals and livestock. perilla ketone is commonly used in oriental foods.

Technology Process of Perilla ketone

There total 11 articles about Perilla ketone 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: 94.0%

: 26214-65-3
furan-3-carbonyl chloride

: isopentylmanganese chloride

: 553-84-4
Perillaketone

Guidance literature:: With copper(l) chloride; In tetrahydrofuran; -10 deg C to r.t., then 20 min;
DOI:10.1016/S0040-4039(00)79145-3

Reference yield: 74.0%

: 38136-29-7
4-methylvaleroyl chloride

: 87453-06-3
tributyl(furan-3-yl)stannane

: 553-84-4
Perillaketone

Guidance literature:: bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; for 12h; Ambient temperature;
DOI:10.1055/s-1991-26436

Reference yield:

: 4885-02-3
Dichloromethyl methyl ether

: 109529-24-0
(3-furyl)(3-methylbutyl)(isopropoxy)borane

: 553-84-4
Perillaketone

Guidance literature:: With dihydrogen peroxide; lithium tert-butoxide; Yield given. Multistep reaction; 1.) diethyl ether, r.t., 1 h, 2.) diethyl ether, pH 8 phosphate buffer, 12 h;
DOI:10.1021/ja00252a018