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Substance Name: Allyl acetoacetate
RN: 1118-84-9
UNII: 8HX066J62P
InChIKey: AXLMPTNTPOWPLT-UHFFFAOYSA-N

Molecular Formula

  • C7-H10-O3

Molecular Weight

  • 142.153
 
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Names and Synonyms

Name of Substance

  • Allyl acetoacetate

Synonyms

  • AI3-04977
  • EC 214-269-9
  • EINECS 214-269-9
  • UNII-8HX066J62P

Systematic Names

  • Allyl acetoacetate
  • Butanoic acid, 3-oxo-, 2-propenyl ester

Registry Numbers

CAS Registry Number

  • 1118-84-9

FDA UNII

  • 8HX066J62P

System Generated Number

  • 0001118849

Structure Descriptors

InChI

1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3

InChIKey

AXLMPTNTPOWPLT-UHFFFAOYSA-N

Smiles

O=C(OCC=C)CC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.50E+01 deg C   EXP
Boiling Point 196 deg C   EXP
log P (octanol-water) 0.150 (none)   EST
Atmospheric OH Rate Constant 2.81E-11 cm3/molecule-sec 25 EST

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