perilla ketone Chemical Properties

Boiling point:

bp 196°

Density 

d1515 0.9920

refractive index 

nD20 1.4781

storage temp. 

Amber Vial, Refrigerator, Under inert atmosphere

solubility 

Acetone (Slightly), Chloroform (Slightly), Methanol (Sparingly)

form 

Oil

color 

Light-yellow liquid

Stability:

Light Sensitive

InChI

InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3

InChIKey

LVHLZMUFIYAEQB-UHFFFAOYSA-N

SMILES

C(C1C=COC=1)(=O)CCC(C)C

LogP

2.760

CAS DataBase Reference

553-84-4

Safety Information

Toxicity

LD50 in female, male mice, male rats (mg/kg): 2.5, 6, 10 i.p. (Wilson)

perilla ketone Usage And Synthesis

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. This compound is commonly used in oriental foods.

Synthesis Reference(s)

Journal of the American Chemical Society, 106, p. 4833, 1984 DOI: 10.1021/ja00329a032
Tetrahedron Letters, 33, p. 5245, 1992 DOI: 10.1016/S0040-4039(00)79145-3

Safety Profile

Poison by intravenous and intraperitoneal routes. A potent pulmonary edemagenic agent (experimental). May also be hazardous to humans. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes

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