4 4-DIMETHYLCYCLOHEXANONE 97 Chemical Properties

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℃)

Flash point:

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 Information

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 

Ⅱ

HS Code 

29142990

Storage Class

4.1B - Flammable solid hazardous materials

Hazard Classifications

Eye Irrit. 2
Flam. Sol. 1

4 4-DIMETHYLCYCLOHEXANONE 97 Usage And Synthesis

Chemical Properties

Colorless crystal

Uses

4,4-Dimethylcyclohexanone is used as a pharmaceutical intermediate.

Synthesis

Cobalt catalyst (5 mol%, 10 ??mol, 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 equiv., 0.2 mmol), and pinacolborane (2 equiv., 0.4 mmol, 58 ??L) were added sequentially to the mixture. The vials were exposed to a blue LED overnight. At the end of the reaction, the solution was diluted with ether, the mixture was washed twice with distilled water, the combined aqueous layer was extracted twice with ether, and finally the combined organic layer was washed with brine. The resulting mixture was dried with anhydrous magnesium sulfate, and the mixture was filtered to remove the magnesium sulfate; the mixture was concentrated under vacuum, and the crude product was purified by column chromatography (0-10% ethyl ether in pentane) to give the target product 4,4-dimethylcyclohexanone.

4 4-DIMETHYLCYCLOHEXANONE 97(4255-62-3)Related Product Information

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• Mestanolone
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• (1S,2S,5S)-(-)-2-Hydroxy-3-pinanone
• METHYLCYCLOHEXANONE
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• 5-CHOLESTEN-3-ONE
• 17,21-dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate
• colocynthin
• SODIUM TAURODEHYDROCHOLATE
• ALLOPREGNANETRIONE
• 5B-ANDROSTANE-3,17-DIONE
• HEXAMETHYLCYCLOHEXANE-1,3,5-TRIONE
• 3-alpha-Ethoxycarbonyl-12-alpha-hydroxy-7-oxocholan-24-oic acid, methy l ester
• PREGNANEDIONE