590-50-1
Product Name:
4,4-DIMETHYL-2-PENTANONE
Formula:
C7H14O
Synonyms:
Methyl neopentyl ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear colorless liquid; [Acros Organics MSDS] |
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Kovats Retention Index | 750 765 |
Chemical Classes | Solvents -> Ketones (<C12) |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H225:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
Molecular Weight | 114.19 g/mol |
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XLogP3 | 1.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Exact Mass | 114.104465066 g/mol |
Monoisotopic Mass | 114.104465066 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 87.1 |
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 |