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Substance Name: Perilla ketone
RN: 553-84-4
UNII: CV69S6Y94V
InChIKey: LVHLZMUFIYAEQB-UHFFFAOYSA-N

Note

  • Potent lung toxin from Perilla frutescens.

Classification Code

  • Natural Product

Molecular Formula

  • C10-H14-O2

Molecular Weight

  • 166.2186
 
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Names and Synonyms

Name of Substance

  • Perilla ketone

Synonyms

  • 1-(3-Furanyl)-4-methyl-1-pentanone
  • 1-(3-Furyl)-4-methyl-1-pentanone
  • 1-Pentanone, 1-(3-furyl)-4-methyl-
  • 5-17-09-00480 (Beilstein Handbook Reference)
  • beta-Furyl isoamyl ketone
  • BRN 0114624
  • NSC 348407
  • Perilla ketone
  • Purple mint plant extract
  • UNII-CV69S6Y94V

Systematic Name

  • 1-Pentanone, 1-(3-furanyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 553-84-4

FDA UNII

  • CV69S6Y94V

System Generated Number

  • 0000553844

Structure Descriptors

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

c1cocc1C(=O)CCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 106mg/kg (106mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA Journal of Animal Science. Vol. 60, Pg. 248, 1985.
domestic animals - goat/sheep LDLo intravenous 10mg/kg (10mg/kg)   Toxicology and Applied Pharmacology. Vol. 45, Pg. 300, 1978.
hamster LD50 intraperitoneal 13700ug/kg (13.7mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA Journal of Animal Science. Vol. 60, Pg. 248, 1985.
mouse LD50 intraperitoneal 2500ug/kg (2.5mg/kg)   Science. Vol. 197, Pg. 573, 1977.
rabbit LD50 intravenous 14mg/kg (14mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA Journal of Animal Science. Vol. 60, Pg. 248, 1985.
rat LD50 intraperitoneal 10mg/kg (10mg/kg)   Science. Vol. 197, Pg. 573, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 196 deg C   EXP
log P (octanol-water) 2.76 (none)   EXP
Water Solubility 282 mg/L 25 EST
Vapor Pressure 0.116 mm Hg 25 EST
Henry's Law Constant 3.04E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.50E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.