10898

Benzyl acetoacetate

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

• Synonym(s): AC-benzyl, Acetoacetic acid benzyl ester
• Linear Formula: CH₃COCH₂COOCH₂C₆H₅
• CAS Number: 5396-89-4
• Molecular Weight: 192.21
• Beilstein: 2049615
• EC Number: 226-416-4
• MDL number: MFCD00008785
• UNSPSC Code: 12352100
• PubChem Substance ID: 57646833
• NACRES: NA.22

Properties

• grade: produced by Wacker Chemie AG, Burghausen, Germany
• Quality Level: 100
• Assay: ≥96% (GC)
• manufacturer/tradename: 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.)
• 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.

Other Notes

prices for bulk quantities on request

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves