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Substance Name: Propyl isome
RN: 83-59-0
UNII: 3FLF8RP6LX
InChIKey: UEKQGZQLUMSLNW-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Tumor Data

Molecular Formula

  • C20-H26-O6

Molecular Weight

  • 362.4194
 
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Names and Synonyms

Name of Substance

  • Propyl isome

Synonyms

  • AI3-15266
  • Caswell No. 401
  • Di-n-propyl 6,7-methylenedioxy-3-methyl-1,2,3,4-tetrahydronaphthalene
  • Di-n-propyl maleate
  • Di-n-propyl maleate-isosafrole condensate
  • Di-n-propyl-3-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydronaphthalene-1,2-dicarboxylate
  • Di-n-propylmaleate isosafrole condensate
  • Di-n-propylmaleate isosafrolecondensate
  • Dipropyl 1,2,3,4-tetrahydro-3-methyl-6,7-(methylenedioxy)-1,2-naphthalenedicarboxylate
  • Dipropyl-5,6,7,8-tetrahydro-7-methylnaphtho(2,3-d)-1,3-dioxole-5,6-dicarboxylate
  • ENT 15,266
  • EPA Pesticide Chemical Code 038001
  • n-Propyl isome
  • N-Propyl isomer
  • n-Propylisome
  • NSC 8402
  • Propilizom
  • Propilizon
  • Propyl isome
  • Propyl isomer
  • UNII-3FLF8RP6LX

Systematic Names

  • Naphthalene-1,2-dicarboxyic acid, 1,2,3,4-tetrahydro-3-methyl-6,7-methylenedioxy-, dipropyl ester
  • Naphtho(2,3-d)(1,3)dioxole-5,6-dicarboxylic acid, 5,6,7,8-tetrahydro-7-methyl-, dipropyl ester
  • Naphtho(2,3-d)-1,3-dioxole-5,6-dicarboxylic acid, 5,6,7,8-tetrahydro-7-methyl-, dipropyl ester

Superlist Name

  • Di-n-propylmaleate isosafrole condensate

Registry Numbers

CAS Registry Number

  • 83-59-0

FDA UNII

  • 3FLF8RP6LX

System Generated Number

  • 0000083590

Structure Descriptors

InChI

1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3

InChIKey

UEKQGZQLUMSLNW-UHFFFAOYSA-N

Smiles

CCCOC(=O)C1c2cc3c(cc2CC(C1C(=O)OCCC)C)OCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 375mg/kg (375mg/kg)   Yakkyoku. Pharmacy. Vol. 30, Pg. 1365, 1979.
rat LD50 oral 1500mg/kg (1500mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 435, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.340 (none)   EST
Water Solubility 0.145 mg/L 25 EST
Vapor Pressure 2.68E-07 mm Hg 25 EST
Henry's Law Constant 1.38E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.00E-11 cm3/molecule-sec 25 EST

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