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Substance Name: Acrolein diethylacetal
RN: 3054-95-3
UNII: 33XN703369
InChIKey: MCIPQLOKVXSHTD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • Acrolein diethylacetal

Synonyms

  • 1,1-Diethoxy-2-propene
  • 2-Propenal diethyl acetal
  • 3,3-Diethoxy-1-propene
  • 3,3-Diethoxypropene
  • 4-01-00-03437 (Beilstein Handbook Reference)
  • Acrolein acetal
  • Acrolein diethyl acetal
  • Acrylaldehyde diethyl acetal
  • BRN 1701567
  • CCRIS 3496
  • EINECS 221-276-0
  • NSC 60135
  • Propenal diethyl acetal
  • UNII-33XN703369

Systematic Names

  • 1-Propene, 3,3-diethoxy-
  • 3,3-Diethoxypropene
  • Acrolein, diethyl acetal
  • Acrolein, diethylacetal

Superlist Names

  • 3,3-Diethoxypropene [UN2374] [Flammable liquid]
  • UN2374

Registry Numbers

CAS Registry Number

  • 3054-95-3

FDA UNII

  • 33XN703369

System Generated Number

  • 0003054953

Structure Descriptors

InChI

InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3

InChIKey

MCIPQLOKVXSHTD-UHFFFAOYSA-N

Smiles

CCOC(OCC)C=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 123.5 deg C   EXP
log P (octanol-water) 1.560 (none)   EST
Atmospheric OH Rate Constant 4.57E-11 cm3/molecule-sec 25 EST

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