3,3,5-Trimethylcyclohexanone Chemical Properties

Melting point:

-10 °C (lit.)

Boiling point:

188-192 °C (lit.)

Density 

0.887 g/mL at 25 °C (lit.)

vapor pressure 

60-133.36Pa at 20-30.99℃

refractive index 

n20/D 1.445(lit.)

Flash point:

150 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

30g/l

form 

clear liquid

color 

Colorless to Almost colorless

Specific Gravity

0.889

explosive limit

1.1%(V)

Water Solubility 

13 g/L (20 ºC)

BRN 

507452

LogP

2.2-2.6 at 25℃

CAS DataBase Reference

873-94-9(CAS DataBase Reference)

NIST Chemistry Reference

Cyclohexanone, 3,3,5-trimethyl-(873-94-9)

EPA Substance Registry System

Cyclohexanone, 3,3,5-trimethyl- (873-94-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

37/38-41-36/37/38-36/37

Safety Statements 

26-39-28A

WGK Germany 

1

RTECS 

GW2185000

HS Code 

29142200

MSDS

• Language:English Provider:3,3,5-Trimethylcyclohexanone
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich

3,3,5-Trimethylcyclohexanone Usage And Synthesis

Chemical Properties

Colorless oily liquid. B.P. 167°C. Very slightly soluble in water, soluble in alcohol and oils.

Uses

3,3,5-Trimethylcyclohexanone is used as a raw material for chemical syntheses e,g. monomer for specialty polycarbonate (Apec®); peroxides used as polymerization initiator. It is also used in coatings and paints to provide improved leveling, gloss and surface finish.

Uses

3,3,5-Trimethylcyclohexanone is used as a reactant in the selective catalytic hydrogenation of organic compounds in supercritical fluids.

Preparation

3,3,5-Trimethylcyclohexanone is produced by catalytic hydrogenation of iso-Phorone.

Synthesis Reference(s)

The Journal of Organic Chemistry, 43, p. 4647, 1978 DOI: 10.1021/jo00418a024
Synthetic Communications, 15, p. 759, 1985 DOI: 10.1080/00397918508063869
Tetrahedron Letters, 29, p. 5471, 1988 DOI: 10.1016/S0040-4039(00)80789-3

Flammability and Explosibility

Not classified

Synthesis

GENERAL METHODS: Under standard hydrogenation reaction conditions, 0.015 g of catalyst was dissolved with 2 mmol of isophorone in 10 mL of ethanol. The reaction process was monitored by thin layer chromatography (TLC). After complete conversion of the isophorone, the catalyst was removed by simple filtration and the solvent was subsequently evaporated under reduced pressure to obtain pure 3,3,5-trimethylcyclohexanone.

References

[1] Tetrahedron, 1994, vol. 50, # 4, p. 973 - 978
[2] Tetrahedron, 1994, vol. 50, # 4, p. 973 - 978
[3] Chemical Communications, 2005, # 25, p. 3207 - 3209
[4] Green Chemistry, 2011, vol. 13, # 5, p. 1133 - 1137
[5] RSC Advances, 2013, vol. 3, # 36, p. 15608 - 15612

3,3,5-Trimethylcyclohexanone(873-94-9)Related Product Information

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