| Identification | More | [Name]
3,3,5-Trimethylcyclohexanone | [CAS]
873-94-9 | [Synonyms]
3,3,5-TRIMETHYLCYCLOHEXANONE
3,5,5-TRIMETHYL CYCLOHEXANONE
DIHYDROISOPHORONE
3,3,5-trimethyi-cyclohexanone
3,3,5-trimethyl-cyclohexanon
3,5,5-Triethylcyclohexanone
3,3,5-trimethylcyclohexan-1-one
Cyclohexanone, 3,3,5-trimethyl-
3,3,5-Trimethylcyclohexan-1-on
3,3,5-TRIMETHYLCYCLOHEXANONE 98+%
1,5,5-Trimethylcyclohexane-3-one
3,3,5-Trimethyl-1-cyclohexanone | [EINECS(EC#)]
212-855-9 | [Molecular Formula]
C9H16O | [MDL Number]
MFCD00019466 | [Molecular Weight]
140.22 | [MOL File]
873-94-9.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID | [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.)
| [Fp ]
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]
873-94-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection . | [WGK Germany ]
1
| [RTECS ]
GW2185000
| [HS Code ]
29142200 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID | [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]
Notclassified | [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 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
3,3,5-Trimethylcyclohexanone(873-94-9)MS
3,3,5-Trimethylcyclohexanone(873-94-9)1HNMR
3,3,5-Trimethylcyclohexanone(873-94-9)13CNMR
3,3,5-Trimethylcyclohexanone(873-94-9)IR1
3,3,5-Trimethylcyclohexanone(873-94-9)Raman
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