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Substance Name: Piperonyl cyclonene
RN: 119-89-1
UNII: RV88204E3P
InChIKey: JBVNWTXRFKZNBQ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C19-H24-O3

Molecular Weight

  • 300.396
 
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Names and Synonyms

Results Name

  • Piperonyl cyclonene

Name of Substance

  • 3-Hexyl-5-(3,4-methylenedioxyphenyl)-2-cyclohexen-1-one

Synonyms

  • 3-Hexyl-5-(3,4-methylenedioxyphenyl)-2-cyclohexen-1-one
  • 4-19-00-01802 (Beilstein Handbook Reference)
  • BRN 0253168
  • ENT 2,818
  • Piperonyl cyclonene
  • Piperonylcyklonen
  • Piperonylcyklonen [Czech]
  • UNII-RV88204E3P

Systematic Name

  • 2-Cyclohexen-1-one, 3-hexyl-5-(3,4-(methylenedioxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 119-89-1

FDA UNII

  • RV88204E3P

System Generated Number

  • 0000119891

Structure Descriptors

InChI

1S/C19H24O3/c1-2-3-4-5-6-14-9-16(11-17(20)10-14)15-7-8-18-19(12-15)22-13-21-18/h7-8,10,12,16H,2-6,9,11,13H2,1H3

InChIKey

JBVNWTXRFKZNBQ-UHFFFAOYSA-N

Smiles

c1([C@@H]2CC(=CC(C2)=O)CCCCCC)cc2c(OCO2)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 5200mg/kg (5200mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 17, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.900 (none)   EST
Water Solubility 0.112 mg/L 25 EST
Vapor Pressure 2.10E-07 mm Hg 25 EST
Henry's Law Constant 1.45E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.43E-10 cm3/molecule-sec 25 EST

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