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] |
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Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
Signal word | Danger |
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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 |
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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 |