CAS 13395-71-6

2,4,4-trimethyl-2-cyclohexen-1-one

Description:

2,4,4-Trimethyl-2-cyclohexen-1-one, with the CAS number 13395-71-6, is an organic compound characterized by its unique bicyclic structure and the presence of a ketone functional group. This compound features a cyclohexene ring that is substituted with three methyl groups and a carbonyl group, contributing to its reactivity and potential applications in organic synthesis. It is typically a colorless to pale yellow liquid with a distinctive odor, indicative of its unsaturated nature. The presence of the double bond in the cyclohexene ring makes it susceptible to electrophilic addition reactions, while the ketone group can participate in nucleophilic addition reactions. Its molecular structure allows for various isomeric forms, which can influence its physical and chemical properties. Additionally, 2,4,4-trimethyl-2-cyclohexen-1-one may exhibit interesting biological activities, making it a subject of interest in fields such as medicinal chemistry and fragrance formulation. Proper handling and storage are essential due to its potential reactivity and volatility.

Formula: C₉H₁₄O

InChI: InChI=1S/C9H14O/c1-7-6-9(2,3)5-4-8(7)10/h6H,4-5H2,1-3H3

InChI key: InChIKey=VIBRIVSJBYFUNF-UHFFFAOYSA-N

SMILES: CC1(C)C=C(C)C(=O)CC1

Synonyms:

• 2,4,4-Trimethyl-2-cyclohexen-1-one
• 2-Cyclohexen-1-one, 2,4,4-trimethyl-
• 2,4,4-Trimethyl-2-cyclohexenone
• 2,4,4-trimethylcyclohex-2-en-1-one2,4,4-trimethyl-2-cyclohexen-1-one
• 2 4 4-TRIMETHYL-2-CYCLOHEXEN-1-ONE 98%
• 2,4,4-TRIMETHYLCYCLOHEX-2-ENONE

2,4,4-TRIMETHYLCYCLOHEX-2-ENONE

CAS: 13395-71-6

Purity: 95.0%

Molecular weight: 138.2100067138672

Ref: 10-F474254

2,4,4-Trimethylcyclohex-2-en-1-one

CAS: 13395-71-6

2,4,4-Trimethylcyclohex-2-en-1-one (TMC) is a carbonyl group that has an oxime group. It can be used as an intermediate in the synthesis of dienones and ester compounds. TMC can be prepared by reacting 2,4,4-trimethylcyclohexanone with formaldehyde or acetaldehyde in the presence of a base. TMC is also used as a reagent for the synthesis of safranal and exocyclic dienones. Safranal is found in plants such as saffron, which gives it its distinctive aroma and flavor. Exocyclic dienones are found in plants such as coffee beans and vanilla beans.

Formula: C₉H₁₄O

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 138.21 g/mol

Ref: 3D-NAA39571