ChemicalBook--->CAS DataBase List--->590-50-1

590-50-1

590-50-1 Structure

590-50-1 Structure
IdentificationMore
[Name]

4,4-DIMETHYL-2-PENTANONE
[CAS]

590-50-1
[Synonyms]

4,4-DIMETHYL-2-PENTANONE
4,4-DIMETHYLPENTAN-2-ONE
METHYL NEOPENTYL KETONE
NEOPENTYL METHYL KETONE
2-Pentanone,4,4-dimethyl-
Methyl neoamyl ketone
Methylneoamylketone
neo-C5H11COCH3
4,4-Dimethylpentan-2-one 98%
4,4-DIMETHYL-2-PENTANONE 99%
Methyl 2,2-dimethylpropyl ketone
[EINECS(EC#)]

209-685-2
[Molecular Formula]

C7H14O
[MDL Number]

MFCD00008854
[Molecular Weight]

114.19
[MOL File]

590-50-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-64°C
[Boiling point ]

125-130 °C (lit.)
[density ]

0.809 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.404(lit.)
[Fp ]

66 °F
[storage temp. ]

Store at room temperature, keep dry and cool
[form ]

Liquid
[color ]

Clear colorless to light yellow
[InChI]

1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
[InChIKey]

AZASWMGVGQEVCS-UHFFFAOYSA-N
[SMILES]

CC(=O)CC(C)(C)C
[CAS DataBase Reference]

590-50-1(CAS DataBase Reference)
[EPA Substance Registry System]

2-Pentanone, 4,4-dimethyl- (590-50-1)
Safety DataBack Directory
[Hazard Codes ]

F
[Risk Statements ]

R11:Highly Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
[RIDADR ]

UN 1224 3/PG 2
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

3.1
[PackingGroup ]

II
[HS Code ]

2914390090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Sulfuric acid-->Magnesium-->Potassium dichromate-->Methyl bromide-->Cuprous bromide-->Mesityl oxide-->Lithium iodide
[Preparation Products]

6-(TERT-BUTYL)PYRIMIDINE-2,4-DIAMINE-->ETHYL 3,5,5-TRIMETHYLHEXANOATE
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

4,4-Dimethyl-2-pentanone is used in the synthesis of 1,??2-??Dihydro-??2-??oxo-??6-??(2,??2-??dimethylpropyl)??-??3-??pyridinecarboxylic acid derivatives as oral hypoglycemic agents.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4,4-DIMETHYL-2-PENTANONE(590-50-1)MS
4,4-DIMETHYL-2-PENTANONE(590-50-1)1HNMR
4,4-DIMETHYL-2-PENTANONE(590-50-1)13CNMR
4,4-DIMETHYL-2-PENTANONE(590-50-1)IR1
4,4-DIMETHYL-2-PENTANONE(590-50-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

590-50-1(sigmaaldrich)
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