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Substance Name: Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester
RN: 372-31-6
InChIKey: OCJKUQIPRNZDTK-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-F3-O3

Molecular Weight

  • 184.112
 
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Names and Synonyms

Synonyms

  • Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester
  • AI3-52657
  • EC 206-750-7
  • EINECS 206-750-7
  • Ethyl (trifluoroacetyl)acetate
  • Ethyl 4,4,4-trifluoroacetoacetate
  • Ethyl trifluoroacetoacetate
  • NSC 42739

Systematic Names

  • Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester
  • Ethyl 4,4,4-trifluoroacetoacetate

Registry Numbers

CAS Registry Number

  • 372-31-6

System Generated Number

  • 0000372316

Structure Descriptors

InChI

1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3

InChIKey

OCJKUQIPRNZDTK-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 133 deg C   EXP
log P (octanol-water) 0.210 (none)   EST
Water Solubility 8000 mg/L   EXP
Atmospheric OH Rate Constant 1.69E-12 cm3/molecule-sec 25 EST

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