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About This Item
Empirical Formula (Hill Notation):
C10H12O4
CAS Number:
Molecular Weight:
196.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
222-195-3
MDL number:
Product Name
Ethyl isodehydracetate, 99%
InChI key
FBPWNVQUVXSXKS-UHFFFAOYSA-N
InChI
1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3
SMILES string
CCOC(=O)C1=C(C)OC(=O)C=C1C
assay
99%
refractive index
n20/D 1.515 (lit.)
bp
290-295 °C (lit.)
mp
17-18 °C (lit.)
density
1.167 g/mL at 25 °C (lit.)
Storage Class
12 - Non Combustible Liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
Regulatory Information
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A M Maione et al.
Steroids, 54(3), 313-320 (1989-09-01)
Condensation of C22 and C21 steroidal aldehydes with ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate 1 in alkaline medium, followed by decarboxylation, provides a simple route to the alpha, beta-unsaturated side-chain delta-lactone synthesis for a classical withanolide precursor.
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