CAS 874-23-7

2-Acetylcyclohexanone

Description:

2-Acetylcyclohexanone, with the CAS number 874-23-7, is an organic compound characterized by its ketone functional group and a cyclohexane ring. It appears as a colorless to pale yellow liquid with a distinctive sweet, caramel-like odor. The molecular formula of 2-acetylcyclohexanone is C9H10O, indicating the presence of nine carbon atoms, ten hydrogen atoms, and one oxygen atom. This compound is known for its role as a flavoring agent and fragrance in various applications, including food and cosmetics. It exhibits moderate solubility in water and is more soluble in organic solvents such as ethanol and ether. The compound is stable under normal conditions but should be handled with care due to potential irritant properties. Its reactivity includes participation in various organic reactions, such as aldol condensation and Michael addition, making it a valuable intermediate in synthetic organic chemistry. Overall, 2-acetylcyclohexanone is a versatile compound with applications in both industrial and research settings.

Formula: C₈H₁₂O₂

InChI: InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3

InChI key: InChIKey=OEKATORRSPXJHE-UHFFFAOYSA-N

SMILES: C(C)(=O)C1C(=O)CCCC1

Synonyms:

• (2S,3S)-1,4-dioxane-2,3-diol
• 1-(2-Hydroxycyclohex-1-En-1-Yl)Ethanone
• 2-Acetyl-1-cyclohexanone
• 2-Acetyl-cyclohexanone
• Ai3-19261
• Cyclohexanone, 2-acetyl-
• Nsc 7713
• alpha-Acetylcyclohexanone
• α-Acetylcyclohexanone
• 2-Acetylcyclohexanone

2-Acetylcyclohexanone

CAS: 874-23-7

Formula: C₈H₁₂O₂

Purity: >97.0%(GC)

Color and Shape: Colorless to Brown clear liquid

Molecular weight: 140.18

Ref: 3B-A0881

2-Acetylcyclohexanone

CAS: 874-23-7

Formula: C₈H₁₂O₂

Purity: 95%

Color and Shape: Liquid

Molecular weight: 140.1797

Ref: IN-DA0036BB

2-Acetylcyclohexanone

CAS: 874-23-7

Formula: C₈H₁₂O₂

Purity: 95%

Color and Shape: Liquid, Clear

Molecular weight: 140.182

Ref: 10-F068997

2-Acetylcyclohexanone

CAS: 874-23-7

2-Acetylcyclohexanone

Purity: 98%

Molecular weight: 140.18g/mol

Ref: 54-OR930178

2-Acetyl cyclohexanone

CAS: 874-23-7

2-Acetylcyclohexanone is a chemical compound that belongs to the group of aryl halides. It is used as a raw material in the production of other chemicals, such as ethylene diamine and acetic anhydride. The reaction mechanism of 2-acetylcyclohexanone is mainly via nucleophilic substitution with hydrochloric acid or trifluoroacetic acid. The reaction with acetic anhydride or ethylene diamine has been shown to be through an acetylation reaction. 2-acetylcyclohexanone can be synthesized by reacting acetaldehyde with sodium cyclopentadienide in the presence of hydrochloric acid, followed by elimination of hydrogen chloride by heating. This compound has two tautomers: keto and enol.

Formula: C₈H₁₂O₂

Purity: Min. 95%

Color and Shape: Colorless Clear Liquid

Molecular weight: 140.18 g/mol

Ref: 3D-FA10212

2-Acetylcyclohexanone

Controlled Product

CAS: 874-23-7

Applications 2-Acetylcyclohexanone is used in the synthesis of 1-(pyridyl)ethanol derivatives that can reduce keto-esters and ketones. Also used in the synthesis of phenothiazine derivatives that can inhibit protein farnesyltransferase molecules and some that show anti-proliferative activity.
References Baciu-Atudosie, L. et al.: Bioorg. Med. Chem. Lett., 22, 6896 (2012); Kawano, S. et al.: Biosci. Biotech. Biochem., 75, 1055 (2011);

Formula: C₈H₁₂O₂

Color and Shape: Neat

Molecular weight: 140.18

Ref: TR-A172105