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68259 Sigma-Aldrich

Ethyl 3-methyl-4-oxocrotonate

≥97.0% (GC)

Synonym: Ethyl trans-γ-oxosenecioate, Ethyl trans-3-methyl-4-oxo-2-butenoate

  • CAS Number 62054-49-3

  • Empirical Formula (Hill Notation) C7H10O3

  • Molecular Weight 142.15

  •  Beilstein/REAXYS Number 1704098

  •  MDL number MFCD00043412

  •  PubChem Substance ID 57652143

  •  NACRES NA.22

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Properties

Related Categories Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis,
Quality Level   100
assay   ≥97.0% (GC)
refractive index   n20/D 1.461
bp   195-202 °C (lit.)
density   1.044 g/mL at 20 °C (lit.)
storage temp.   2-8°C
SMILES string   [H]C(=O)\C(C)=C\C(=O)OCC
InChI   1S/C7H10O3/c1-3-10-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3/b6-4+
InChI key   YLFXEUMFBVGYEL-GQCTYLIASA-N

Description

Packaging

50 mL in glass bottle

Other Notes

C5-aldehydic ester useful for the synthesis of isoprenoids by Wittig reaction

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
3
Flash Point(F) 
228.2 °F
Flash Point(C) 
109 °C

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Protocols & Articles
Peer-Reviewed Papers
15

References

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