ChemicalBook--->CAS DataBase List--->1193-47-1

1193-47-1

1193-47-1 Structure

1193-47-1 Structure
IdentificationBack Directory
[Name]

2,2-DIMETHYLCYCLOHEXANONE
[CAS]

1193-47-1
[Synonyms]

6,6-Dimethylcyclohexanone
2,2-DIMETHYLCYCLOHEXANONE
Tretinoin Related Compound 2
Cyclohexanone, 2,2-dimethyl-
2,2-dimethylcyclohexan-1-one
2,2-Dimethyl-1-cyclohexanone
2,2-Dimethylcyclohexanone 92%
2,2-Dimethylcyclohexanone ,93%
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00134382
[MOL File]

1193-47-1.mol
[Molecular Weight]

126.2
Chemical PropertiesBack Directory
[Melting point ]

−20 °C(lit.)
[Boiling point ]

169-170 °C768 mm Hg(lit.)
[density ]

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

n20/D 1.448(lit.)
[Fp ]

122 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Chloroform, Dichloromethane
[form ]

Liquid
[color ]

Clear colorless to yellow
[InChI]

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

KNSPBSQWRKKAPI-UHFFFAOYSA-N
[SMILES]

CC1(C)CCCCC1=O
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H225
[Precautionary statements ]

P210-P403+P235
[Risk Statements ]

10
[Safety Statements ]

16
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29142900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->Sodium hydride-->Iodomethane-->2-Methylcyclohexanone
[Preparation Products]

3,3-Dimethylcyclohexanone-->2,2-dimethylcyclohexane-1-carboxylic acid
Hazard InformationBack Directory
[Uses]

2,2-Dimethylcyclohexanone may be used in the preparation of 6,6-dimethyl-1-vinylcyclohexene.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 27, p. 1615, 1962 DOI: 10.1021/jo01052a031
Tetrahedron, 33, p. 2737, 1977 DOI: 10.1016/0040-4020(77)80265-2
Tetrahedron Letters, 24, p. 1341, 1983 DOI: 10.1016/S0040-4039(00)81651-2
[General Description]

2,2-Dimethylcyclohexanone is a sterically hindered ketone. Mg-TiCl4-catalyzed CH2-transfer reaction of 2,2-dimethylcyclohexanone with CH2Cl2 is reported.
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-DIMETHYLCYCLOHEXANONE(1193-47-1)1HNMR
2,2-DIMETHYLCYCLOHEXANONE(1193-47-1)Raman
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