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About This Item
Linear Formula:
CH3COCH=CHCO2CH3
CAS Number:
Molecular Weight:
128.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
906914
Assay:
≥97.0% (GC)
Form:
crystals
Quality Level
assay
≥97.0% (GC)
form
crystals
mp
59-61 °C
functional group
ester, ketone
storage temp.
2-8°C
SMILES string
[H]\C(=C(\[H])C(=O)OC)C(C)=O
InChI
1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+
InChI key
GLVNZYODMKSEPS-ONEGZZNKSA-N
Other Notes
Reactive enone; conjugate addition of ketones and similar compounds, e.g. for Robinson annelations
; DA-cycloadditions
; DA-cycloadditions
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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A.E. Ashcroft et al.
Tetrahedron, 40, 4579-4579 (1984)
M. Miyashita et al.
The Journal of Organic Chemistry, 49, 2857-2857 (1984)
C.J. Kowalski et al.
Journal of the American Chemical Society, 110, 3693-3693 (1988)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 75944-1G | 04061825593395 |
| 75944-5G | 04061831823387 |