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68259

Sigma-Aldrich

Ethyl 3-methyl-4-oxocrotonate

≥97.0% (GC)

Synonym(s):

Ethyl trans-γ-oxosenecioate, Ethyl trans-3-methyl-4-oxo-2-butenoate

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About This Item

Empirical Formula (Hill Notation):
C7H10O3
CAS Number:
62054-49-3
Molecular Weight:
142.15
Beilstein:
1704098
MDL number:
MFCD00043412
UNSPSC Code:
12352100
PubChem Substance ID:
57652143
NACRES:
NA.22

Quality Level

100

Assay

≥97.0% (GC)

form

liquid

refractive index

n20/D 1.461

bp

195-202 °C (lit.)

density

1.044 g/mL at 20 °C (lit.)

functional group

aldehyde
ester

storage temp.

2-8°C

SMILES string

[H]C(=O)\C(C)=C\C(=O)OCC

InChI

1S/C7H10O3/c1-3-10-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3/b6-4+

InChI key

YLFXEUMFBVGYEL-GQCTYLIASA-N

Other Notes

C5-aldehydic ester useful for the synthesis of isoprenoids by Wittig reaction

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
1382468V
1382468
1292316
070701/1
046749/1

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E. Aig et al.
Synthetic Communications, 17, 419-419 (1987)

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