Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl-

Basic Information

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CAS Number

23790-39-8

Molecular Formula

C15H28O

Molecular Weight

224.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

134°C/20mmHg

Flash Point

118.5±10.7 ºC,

Refractive Index

1.4590-1.4630

SMILES

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CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C15H28O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-12H,8-9H2,1-7H3

InChIKey

LDPDMUPXRDWOPE-UHFFFAOYSA-N

LogP

4.31000

Complexity

238

Synonyms & References

English

BS-52287
SCHEMBL6438979
CS-0188252
D4385
NSC22256
2,6-DI-TERT-BUTYL-4-METHYLCYCLOHEXAN-1-ONE
2,6-ditert-butyl-4-methylcyclohexan-1-one
2,6-di-tert-butyl-4-methylcyclohexanone
BCP30901
T70616
DTXSID70281627
MFCD27976821
NSC-22256
2, 6-ditert-butyl-4-methylcyclohexan-1-one
Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl-
23790-39-8
2,6-Di-tert-butyl-4-Methylcyclohexanone (Mixture of isoMers)
2,6-di-tert-butyl-4-methyl-cyclohexanone
2,6-Bis(1,1-dimethylethyl)-4-methylcyclohexanone
2,6-Di-tert-butyl-4-methylcyclohexanone
NSC 22256

MDL Number

MFCD27976821

FAQ

What are the physical and chemical properties of Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS: 23790-39-8)?

Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS: 23790-39-8) is a colorless to pale yellow liquid with a slightly aromatic odor. The molecular weight is approximately 252.4 g/mol. It has a melting point of -13.9°C and a boiling point of 129.5°C. The compound is soluble in common organic solvents. Chemically, it exhibits moderate reactivity, particularly with nucleophiles and bases, undergoing reactions such as esterification and reduction.

How is Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS: 23790-39-8) typically synthesized?

Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS: 23790-39-8) is synthesized via a Grignard reaction using 4-bromo-2,6-di-tert-butylcyclohexanone and 2-butyllithium. The reaction is carried out in a non-aqueous solvent like tetrahydrofuran (THF) under an inert atmosphere. The yield is around 70-80% with good selectivity. This route provides a reliable method for the synthesis of this compound.

What industries use Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS: 23790-39-8)?

Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS: 23790-39-8) is utilized in the pharmaceutical, polymer, and sensor industries due to its unique chemical structure. It serves as a precursor in the synthesis of various pharmaceutical intermediates and is also used in the production of certain polymers. Additionally, it is employed in the development of gas sensors and semiconductor materials, where its reactivity and stability are advantageous.

What precautions should be taken when handling Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS: 23790-39-8)?

When handling Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS: 23790-39-8), ensure to use proper personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work in a well-ventilated area or fume hood to prevent inhalation. Store the compound in a cool, dry place away from heat sources and incompatible chemicals. In case of spill, use appropriate absorbent materials and dispose of waste according to local regulations. Always refer to the safety data sheet (SDS) for detailed information and emergency procedures.