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10898 Sigma-Aldrich

Benzyl acetoacetate

produced by Wacker Chemie AG, Burghausen, Germany, ≥96% (GC)

Synonym: AC-benzyl, Acetoacetic acid benzyl ester

  • CAS Number 5396-89-4

  • Linear Formula CH3COCH2COOCH2C6H5

  • Molecular Weight 192.21

  •  Beilstein/REAXYS Number 2049615

  •  EC Number 226-416-4

  •  MDL number MFCD00008785

  •  PubChem Substance ID 57646833

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters,
grade   produced by Wacker Chemie AG, Burghausen, Germany
assay   ≥96% (GC)
mfr. no.   Wacker Chemie AG
refractive index   n20/D 1.512 (lit.)
bp   156-159 °C/10 mmHg (lit.)
density   1.112 g/mL at 25 °C (lit.)
storage temp.   room temp
SMILES string   CC(=O)CC(=O)OCc1ccccc1
InChI   1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI key   WOFAGNLBCJWEOE-UHFFFAOYSA-N

Description

General description

Benzyl acetoacetate undergoes asymmetric bioreduction to form benzyl (S)-(+)-3-hydroxybutyrate in the presence of Candida schatavii strain MY 1831.

Packaging

1 kg in glass bottle

Other Notes

prices for bulk quantities on request

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 1
Protocols & Articles
Peer-Reviewed Papers
15

References

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