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417394 Sigma-Aldrich

1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione

98%

  • CAS Number 1469-94-9

  • Linear Formula HOC6H4COCH2COC6H5

  • Molecular Weight 240.25

  •  MDL number MFCD00043495

  •  PubChem Substance ID 24866145

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   100
assay   98%
mp   120-122 °C (lit.)
SMILES string   Oc1ccccc1C(=O)CC(=O)c2ccccc2
InChI   1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2
InChI key   OABFIJGAEVKMJP-UHFFFAOYSA-N

Description

General description

1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione is a chalcone. It has been isolated from the stem bark of Millettia ovalifolia and the root bark of Pongamia pinnata. It can be prepared by the benzoylation of ortho-hydroxyacetophenone in pyridine. It has been reported to crystallize in the triclinic space group. It exists in two enolic tautomeric forms in which the hydroxyl and phenolic protons are linked to the ketonic oxygen atom via hydrogen bonds. It forms (1:1) inclusion compounds by reacting with formaldehyde in the presence of various 1-arylpiperazines.

Packaging

1 g in glass bottle

Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 417394.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

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Protocols & Articles
Peer-Reviewed Papers
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References

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