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2,2-Dimethyl-3-Hexanone
[CAS# 5405-79-8]

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Identification
Name 2,2-Dimethyl-3-Hexanone
Synonyms Nsc5229; Tert-Butyl Propyl Ketone; Zinc01680783
Molecular Structure CAS#: 5405-79-8, 2,2-Dimethyl-3-Hexanone
Molecular Formula C8H16O
Molecular Weight 128.21
CAS Registry Number 5405-79-8
SMILES C(C(C(C)(C)C)=O)CC
InChI 1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3
InChIKey PYCHXHVFOZBVEY-UHFFFAOYSA-N
Properties
Density 0.8±0.1g/cm3 (Cal.)
Boiling point 149.9±8.0°C at 760 mmHg (Cal.)
Flash point 34.4±12.1°C (Cal.)
Refractive index 1.4105 (Expl.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
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