Product Name

  • Name

    HELIOTROPINE DIETHYL ACETAL

  • EINECS 254-956-0
  • CAS No. 40527-42-2
  • Article Data10
  • CAS DataBase
  • Density 1.141 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H16 O4
  • Boiling Point 276.7 °C at 760 mmHg
  • Molecular Weight 224.257
  • Flash Point 98.9 °C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 40527-42-2 (HELIOTROPINE DIETHYL ACETAL)
  • Hazard Symbols
  • Synonyms Piperonal,diethyl acetal (6CI); Toluene, a,a-diethoxy-3,4-methylenedioxy-(5CI); NSC 20028
  • PSA 36.92000
  • LogP 2.48690

Piperonal diethyl acetal Chemical Properties

Product Name: Piperonal diethyl acetal (CAS NO.40527-42-2)


Molecular Formula: C12H16O4
Molecular Weight: 224.25g/mol
Mol File: 40527-42-2.mol
Einecs: 254-956-0
Boiling point: 276.7 °C at 760 mmHg
Flash Point: 98.9 °C
Density: 1.141 g/cm3
Surface Tension: 40.8 dyne/cm
Enthalpy of Vaporization: 49.45 kJ/mol
Vapour Pressure: 0.00796 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Piperonal diethyl acetal (CAS NO.40527-42-2):
  IUPAC Name: 5-(diethoxymethyl)-1,3-benzodioxole
  Canonical SMILES: CCOC(C1=CC2=C(C=C1)OCO2)OCC
  InChI: InChI=1S/C12H16O4/c1-3-13-12(14-4-2)9-5-6-10-11(7-9)16-8-15-10/h5-7,12H,3-4,8H2,1-2H3 
  InChIKey: YDQLGNDCYHZHEE-UHFFFAOYSA-N

Piperonal diethyl acetal Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 396, 1955.

Piperonal diethyl acetal Consensus Reports

Reported in EPA TSCA Inventory.

Piperonal diethyl acetal Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes.

Piperonal diethyl acetal Specification

 Piperonal diethyl acetal ,its CAS NO. is 40527-42-2,the synonyms is AI3-19955 ; BRN 0085612 ; EINECS 254-956-0 ; Heliotropin DEA ; NSC 20028 ; 1,3-Benzodioxole, 5-(diethoxymethyl)- ; 5-Diethoxymethyl-1,3-benzodioxole .

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