Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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.