ChemicalBook--->CAS DataBase List--->565-61-7

565-61-7

565-61-7 Structure

565-61-7 Structure
IdentificationMore
[Name]

3-METHYL-2-PENTANONE
[CAS]

565-61-7
[Synonyms]

3-METHYL-2-PENTANONE
METHYL SEC-BUTYL KETONE
SEC-BUTYL METHYL KETONE
(±)-3-methyl-pentan-2-one
2-Pentanone,3-methyl-
2-Pentanone,3-methyl-,(±)-
3-methyl-2-pentanon
3-methyl-pentan-2-one
3-Methylpentan-2-one
Methyl 1-methylpropyl ketone
Methyl1-methylpropylketone
NSC66492
sec-C4H9COCH3
SEC.-BUTYL METHYL KETONE 99%
3-Methyl-2-pentanone,98%
sec-Butyl methyl ketone, Methyl sec-butyl ketone
2-Acetylbutane
[EINECS(EC#)]

209-282-1
[Molecular Formula]

C6H12O
[MDL Number]

MFCD00009336
[Molecular Weight]

100.16
[MOL File]

565-61-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-106°C
[Boiling point ]

118 °C758 mm Hg(lit.)
[density ]

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

n20/D 1.4(lit.)
[Fp ]

54 °F
[solubility ]

Soluble in alcohol.
[form ]

Liquid
[color ]

Clear colorless
[Odor Threshold]

0.024ppm
[Water Solubility ]

20.47g/L(25 ºC)
[BRN ]

635791
[Henry's Law Constant]

8.4×10-2 mol/(m3Pa) at 25℃, Plyasunov and Shock (2001)
[InChI]

1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
[InChIKey]

UIHCLUNTQKBZGK-UHFFFAOYSA-N
[SMILES]

CCC(C)C(C)=O
[LogP]

1.331 (est)
[CAS DataBase Reference]

565-61-7(CAS DataBase Reference)
[EPA Substance Registry System]

3-Methyl-2-pentanone (565-61-7)
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
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29141900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

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

Diethyl ether-->Sulfuric acid-->Sodium carbonate-->Sodium sulfate-->Sodium chloride-->Benzene-->Magnesium-->Acetyl chloride-->2-Bromobutane-->Cadmium chloride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-methyl-2-pentanone(565-61-7).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

3-Methyl-2-pentanone is used as a solvent and as an intermediate for syntheses of pharmaceuticals.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 41, p. 1939, 1976 DOI: 10.1021/jo00873a011
Tetrahedron Letters, 16, p. 4453, 1975 DOI: 10.1016/S0040-4039(00)91090-6
[Synthesis]

2-Butanone undergoes basecatalyzed aldolization with acetaldehyde to form 4-hydroxy-3-methylpentan-2-one. Acidcatalyzed dehydration to 3-methyl-3-penten-2- one is followed by hydrogenation over a palladium catalyst to give 3-methyl-2-pentanone.
3-Methyl-2-pentanone synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-2-PENTANONE(565-61-7)MS
3-METHYL-2-PENTANONE(565-61-7)1HNMR
3-METHYL-2-PENTANONE(565-61-7)13CNMR
3-METHYL-2-PENTANONE(565-61-7)IR1
3-METHYL-2-PENTANONE(565-61-7)IR2
3-METHYL-2-PENTANONE(565-61-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methyl-2-pentanone, 98+%(565-61-7)
[Sigma Aldrich]

565-61-7(sigmaaldrich)
[TCI AMERICA]

3-Methyl-2-pentanone,>95.0%(GC)(565-61-7)
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