ChemicalBook--->CAS DataBase List--->4255-62-3

4255-62-3

4255-62-3 Structure

4255-62-3 Structure
IdentificationBack Directory
[Name]

4 4-DIMETHYLCYCLOHEXANONE 97
[CAS]

4255-62-3
[Synonyms]

BB_SC-5119
BAS 08748190
Cyclohexanone, 4,4-dimethyl-
4,4-dimethylcyclohexan-1-one
4,4-Dimethyl-1-cyclohexanone
4,4-Dimethylcyclohexanone>
1,1-Dimethyl-4-oxocyclohexane
4,4-Dimethylcyclohexanone 97%
4 4-DIMETHYLCYCLOHEXANONE 97
4,4-Dimethylcyclohexan-1-one 98%
4,4-Dimethylcyclohexanone (Anacetrapib)
4,4-Dimethylcyclohexanone 4,4-Dimethyl-1-cyclohexanone
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-
4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-4-oxo-butyric acid
4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutanoic acid
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-keto-butyric acid
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutanoate
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate
[EINECS(EC#)]

626-769-8
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00234965
[MOL File]

4255-62-3.mol
[Molecular Weight]

126.2
Chemical PropertiesBack Directory
[Melting point ]

41-45 °C
[Boiling point ]

105-106℃ (80 Torr)
[density ]

0.892±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.46442 (22.45℃)
[Fp ]

137 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Almost white
[Water Solubility ]

Insoluble in water.
[InChI]

InChI=1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3
[InChIKey]

PXQMSTLNSHMSJB-UHFFFAOYSA-N
[SMILES]

C1(=O)CCC(C)(C)CC1
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

11-36
[Safety Statements ]

16-26-24/25
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

2
[HazardClass ]

4.1
[PackingGroup ]

[HS Code ]

29142990
[Storage Class]

4.1B - Flammable solid hazardous materials
[Hazard Classifications]

Eye Irrit. 2
Flam. Sol. 1
Hazard InformationBack Directory
[Chemical Properties]

Colorless crystal
[Uses]

4,4-Dimethylcyclohexanone is used as a pharmaceutical intermediate.
[Synthesis]

Cobalt catalyst (5 mol%, 10 μmol, 8.6 mg) and magnets were added to the dried reaction vial and the vial was capped using a stopper with a rubber septum. The air in the reaction vial was displaced with argon, and tetrahydrofuran (2.0 mL), alkenone (1 equi
Spectrum DetailBack Directory
[Spectrum Detail]

4 4-DIMETHYLCYCLOHEXANONE 97(4255-62-3)1HNMR
4 4-DIMETHYLCYCLOHEXANONE 97(4255-62-3)FT-IR
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