136875

4,4-Dimethyl-2-pentanone

99%

• Synonym(s): Methyl neopentyl ketone
• Linear Formula: (CH₃)₃CCH₂COCH₃
• CAS Number: 590-50-1
• Molecular Weight: 114.19
• EC Number: 209-685-2
• MDL number: MFCD00008854
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848298
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• refractive index: n20/D 1.404 (lit.)
• bp: 125-130 °C (lit.)
• density: 0.809 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CC(=O)CC(C)(C)C
• InChI: 1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
• InChI key: AZASWMGVGQEVCS-UHFFFAOYSA-N

Description

General description

4,4-Dimethyl-2-pentanone was used as starting reagent in the synthesis of 3,4,4,5-tetramethyl-3-hexanol. It was used in the gas-phase reactions of OH radicals with 2,2,4-trimethylpentane.

Safety Information

• Pictograms: GHS02
• Signal Word: Danger
• Hazard Statements: H225
• Precautionary Statements: P210
• Hazard Classifications: Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 66.2 °F - closed cup
• Flash Point(C): 19 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves