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Substance Name: Chalcone
RN: 614-47-1
UNII: 5S5A2Q39HX
InChIKey: DQFBYFPFKXHELB-VAWYXSNFSA-N

Note

  • An aromatic KETONE that forms the core molecule of CHALCONES.

Molecular Formula

  • C15-H12-O

Molecular Weight

  • 208.259
 

Classification Codes

  • Agricultural Chemical
  • Antiviral (COVID-19)
  • Nematocide
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Names and Synonyms

Name of Substance

  • Chalcone

MeSH Heading

  • Chalcone

Synonyms

  • (E)-1,3-Diphenyl-2-propen-1-one
  • (E)-Benzylideneacetophenone
  • (E)-Chalcone
  • CCRIS 3778
  • EINECS 210-383-8
  • NSC 167107
  • Phenyl (E)-2-phenylethenyl ketone
  • Phenyl trans-styryl ketone
  • trans-Benzalacetophenone
  • trans-Benzylideneacetophenone
  • trans-Chalcone
  • UNII-5S5A2Q39HX

Systematic Names

  • (E)-Chalcone
  • 2-Propen-1-one, 1,3-diphenyl-, (E)-
  • Benzylidene acetophenone

Registry Numbers

CAS Registry Number

  • 614-47-1

FDA UNII

  • 5S5A2Q39HX

System Generated Number

  • 0000614471

Structure Descriptors

InChI

InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+

InChIKey

DQFBYFPFKXHELB-VAWYXSNFSA-N

Smiles

O=C(\C=C\c1ccccc1)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1048mg/kg (1048mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 46, Pg. 1163, 1998.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 59 deg C   EXP
log P (octanol-water) 3.660 (none)   EST
Atmospheric OH Rate Constant 2.34E-11 cm3/molecule-sec 25 EST

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