10898
Benzyl acetoacetate
≥96% (GC)
Synonym(s):
AC-benzyl, Acetoacetic acid benzyl ester
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About This Item
Linear Formula:
CH3COCH2COOCH2C6H5
CAS Number:
Molecular Weight:
192.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
226-416-4
Beilstein/REAXYS Number:
2049615
MDL number:
Assay:
≥96% (GC)
Quality Level
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
General description
Benzyl acetoacetate undergoes asymmetric bioreduction to form benzyl (S)-(+)-3-hydroxybutyrate in the presence of Candida schatavii strain MY 1831.
Other Notes
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Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves
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Asymmetric bioreduction of benzyl acetoacetate to its corresponding alcohol, benzyl (S)-(+)-3-hydroxybutyrate by the yeast Candida schatavii strain 1831.
Chartrain M, et al.
Journal of Fermentation and Bioengineering, 82(5), 507-508 (1996)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| C8017-100G | 04061833521489 |
| C8017-500G | 04061833521496 |
| 10898-25KG | 04061836681876 |