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590-50-1

590-50-1 structural image
Product Name: 4,4-DIMETHYL-2-PENTANONE
Formula: C7H14O
Synonyms: Methyl neopentyl ketone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colorless liquid; [Acros Organics MSDS]
Kovats Retention Index 750 765
Chemical Classes Solvents -> Ketones (<C12)

SAFETY INFORMATION

Signal word Danger
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
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