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Substance Name: 5-(Diethoxymethyl)-1,3-benzodioxole
RN: 40527-42-2
UNII: 6QXA88ATN9
InChIKey: YDQLGNDCYHZHEE-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O4

Molecular Weight

  • 224.254
 
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Names and Synonyms

Name of Substance

  • 5-(Diethoxymethyl)-1,3-benzodioxole

Synonyms

  • 2-19-00-00143 (Beilstein Handbook Reference)
  • AI3-19955
  • BRN 0085612
  • EINECS 254-956-0
  • Heliotropin DEA
  • NSC 20028
  • Piperonal diethyl acetal
  • UNII-6QXA88ATN9

Systematic Names

  • 1,3-Benzodioxole, 5-(diethoxymethyl)-
  • 5-Diethoxymethyl-1,3-benzodioxole
  • Piperonal, diethyl acetal

Registry Numbers

CAS Registry Number

  • 40527-42-2

FDA UNII

  • 6QXA88ATN9

System Generated Number

  • 0040527422

Structure Descriptors

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

Smiles

c12cc(C(OCC)OCC)ccc1OCO2

Toxicity

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.