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Substance Name: Piperonylic acid
RN: 94-53-1
UNII: QX3V1NO0KH
InChIKey: VDVJGIYXDVPQLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-O4

Molecular Weight

  • 166.1314
 
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Names and Synonyms

Name of Substance

  • Piperonylic acid

Synonyms

  • 3,4-Dioxymethylenebenzoic acid
  • 3,4-Methylene dioxybenzoic acid
  • 5-Benzodioxolecarboxylic acid
  • AI3-05972
  • Benzoic acid, 3,4-(methylenedioxy)-
  • EINECS 202-342-8
  • Heliotropic acid
  • NSC 10072
  • Protocatechuic acid methylene ether
  • UNII-QX3V1NO0KH

Systematic Names

  • 1,3-Benzodioxole-5-carboxylic acid
  • Piperonylic acid

Registry Numbers

CAS Registry Number

  • 94-53-1

FDA UNII

  • QX3V1NO0KH

Other Registry Number

  • 1160950-49-1

System Generated Number

  • 0000094531

Structure Descriptors

InChI

1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)

InChIKey

VDVJGIYXDVPQLP-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C(O)=O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 229 deg C   EXP
log P (octanol-water) 1.940 (none)   EST
Atmospheric OH Rate Constant 9.60E-12 cm3/molecule-sec 25 EST

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