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E33408

Sigma-Aldrich

Ethyl isodehydracetate

99%

Synonym(s):

Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

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About This Item

Empirical Formula (Hill Notation):
C10H12O4
CAS Number:
3385-34-0
Molecular Weight:
196.20
EC Number:
222-195-3
MDL number:
MFCD00006643
UNSPSC Code:
12352100
PubChem Substance ID:
24894507
NACRES:
NA.22

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.)

SMILES string

CCOC(=O)C1=C(C)OC(=O)C=C1C

InChI

1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3

InChI key

FBPWNVQUVXSXKS-UHFFFAOYSA-N

Storage Class Code

12 - Non Combustible Liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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