609-09-6
Product Name:
Diethyl ketomalonate
Formula:
C7H10O5
Synonyms:
Diethyl mesoxalate;Ketomalonic acid diethyl ester
Inquiry
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 174.15 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 174.05282342 g/mol |
| Monoisotopic Mass | 174.05282342 g/mol |
| Topological Polar Surface Area | 69.7 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 176 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
Diethyl oxomalonate is a greenish-yellow, low-viscosity, low-odor oil that rapidly forms the dihydrate and crystallizes with water in shape of white prisms. It acts as electron-poor dienophile and can be used as a carbon dioxide equivalent for Diels-Alder reactions with electron-rich 1,3-dienes such as isoprenes or dimethyl butadienes in a [4+2]cycloaddition to the geminal dihydropyran diester.