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B11907 Sigma-Aldrich

1-Phenyl-1,3-butanedione

99%

Synonym: Benzoylacetone

  • CAS Number 93-91-4

  • Linear Formula C6H5COCH2COCH3

  • Molecular Weight 162.19

  •  Beilstein/REAXYS Number 742413

  •  EC Number 202-286-4

  •  MDL number MFCD00008786

  •  PubChem Substance ID 24891568

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   100
assay   99%
mp   54-56 °C (lit.)
density   1.09 g/mL at 25 °C (lit.)
SMILES string   CC(=O)CC(=O)c1ccccc1
InChI   1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI key   CVBUKMMMRLOKQR-UHFFFAOYSA-N

Description

Packaging

10, 50, 250 g in poly bottle

Safety & Documentation

Safety Information

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
15

References

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