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Substance Name: Piperonal
RN: 120-57-0
UNII: KE109YAK00
InChIKey: SATCULPHIDQDRE-UHFFFAOYSA-N

Note

  • Has been used as a pediculicide.

Molecular Formula

  • C8-H6-O3

Molecular Weight

  • 150.1324
 

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • 1,3-Benzodioxole-5-carboxaldehyde
  • Heliotropine
  • Piperonal

Synonyms

  • 1,3-Benzodioxole-5-carboxaldehyde
  • 3,4-Bis(methylenedioxy)benzaldehyde
  • 3,4-Dihydroxybenzaldehyde methylene ketal
  • 3,4-Dimethylenedioxybenzaldehyde
  • 3,4-Methylene-dihydroxybenzaldehyde
  • 3,4-Methylenedioxybenzaldehyde
  • 5-Formyl-1,3-benzodioxole
  • AI3-01198
  • Benzaldehyde, 3,4-(methylenedioxy)-
  • CCRIS 5928
  • Dioxymethylene protocatechuic aldehyde
  • Dioxymethylene-protocatechuic aldehyde
  • EC 204-409-7
  • EINECS 204-409-7
  • FEMA No. 2911
  • Geliotropin
  • Heliotropin
  • Heliotropin (natural)
  • Heliotropine
  • HSDB 581
  • NSC 26826
  • Piperonal
  • Piperonaldehyde
  • Piperonyl aldehyde
  • Piperonylaldehyde
  • Protocatechuic aldehyde methylene ether
  • RTECS TS7784000
  • UNII-KE109YAK00

Systematic Names

  • 1,3-Benzodioxole-5-carboxaldehyde
  • Piperonal

Superlist Names

  • Piperonal
  • Piperonaldehyde

Registry Numbers

CAS Registry Number

  • 120-57-0

FDA UNII

  • KE109YAK00

Other Registry Numbers

  • 30024-74-9
  • 659726-32-6

System Generated Number

  • 0000120570

Structure Descriptors

InChI

1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2

InChIKey

SATCULPHIDQDRE-UHFFFAOYSA-N

Smiles

O=Cc1ccc2OCOc2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 370, 1954.
rat LD50 oral 2700mg/kg (2700mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964.
rat LD50 skin > 5mg/kg (5mg/kg)   National Technical Information Service. Vol. OTS0535062,
rat LDLo intraperitoneal 1500mg/kg (1500mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 37 deg C   EXP
Boiling Point 263 deg C   EXP
log P (octanol-water) 1.05 (none)   EXP
Water Solubility 3500 mg/L 20 EXP
Henry's Law Constant 5.60E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.85E-11 cm3/molecule-sec 25 EST

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