5394-63-8
Product Name:
2,2,6-Trimethyl-4H-1,3-dioxin-4-one
Formula:
C7H10O3
Synonyms:
Diketene acetone adduct;TMD
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear dark brown liquid; mp = 12-13 deg C; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 142.15 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 142.062994177 g/mol |
| Monoisotopic Mass | 142.062994177 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 191 |
| 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 |