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Substance Name: Apiole (dill)
RN: 484-31-1
UNII: 438CJQ562D
InChIKey: LIKYNOPXHGPMIH-UHFFFAOYSA-N

Note

  • A plant based insecticide.

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H14-O4

Molecular Weight

  • 222.239
 
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Names and Synonyms

Name of Substance

  • 5-Allyl 6,7-dimethoxy 1,3-benzodioxole
  • Apiole (dill)

Synonyms

  • 4,5-Dimethoxy-6-(2-propenyl)-1,3-benzodioxole
  • 5-19-03-00307 (Beilstein Handbook Reference)
  • BRN 0196037
  • Dill apiol
  • Dill apiole
  • Dillapiol
  • UNII-438CJQ562D

Systematic Names

  • 1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)- (9CI)
  • Benzene, 1-allyl-2,3-dimethoxy-4,5-(methylenedioxy)-

Registry Numbers

CAS Registry Number

  • 484-31-1

FDA UNII

  • 438CJQ562D

System Generated Number

  • 0000484311

Structure Descriptors

InChI

1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3

InChIKey

LIKYNOPXHGPMIH-UHFFFAOYSA-N

Smiles

c12c(c(c(CC=C)cc1OCO2)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Indian Journal of Pharmacy. Vol. 34, Pg. 69, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29.5 deg C   EXP
Boiling Point 285 deg C   EXP
log P (octanol-water) 3.610 (none)   EST
Atmospheric OH Rate Constant 2.31E-10 cm3/molecule-sec 25 EST

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