13019-04-0

Basic information

• Product Name: 2,4-bis(1,1-dimethylethyl)-Cyclohexanone
• Synonyms: 2,4-bis(1,1-dimethylethyl)-Cyclohexanone;2,4-di-tert-butylcyclohexanone
• CAS NO: 13019-04-0
• Molecular Formula: C₁₄H₂₆O
• Molecular Weight: 210.36
• EINECS: 405-340-7
• Mol File: 13019-04-0.mol

Chemical Properties

• Boiling Point: 272.4°Cat760mmHg
• Flash Point: 111.1°C
• Appearance: /
• Density: 0.893g/cm³
• Vapor Pressure: 0.00608mmHg at 25°C
• Refractive Index: 1.457
• CAS DataBase Reference: 2,4-bis(1,1-dimethylethyl)-Cyclohexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-bis(1,1-dimethylethyl)-Cyclohexanone(13019-04-0)
• EPA Substance Registry System: 2,4-bis(1,1-dimethylethyl)-Cyclohexanone(13019-04-0)

Safety Data

• Hazard Codes: Xi,N
• Statements: 38-51/53
• Safety Statements: 37-61
• Hazardous Substances Data: 13019-04-0(Hazardous Substances Data)

Usage

Appearance

White solid

Solubility

Insoluble in water

Odor

Strong

Uses

Fragrance ingredient, production of consumer products, intermediate in chemical synthesis, solvent in industrial processes

Hazards

Flammable, may cause skin and eye irritation

InChI:InChI=1/C14H26O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h10-11H,7-9H2,1-6H3

Upstream product

• 55030-25-6 2,4-di-tert-butylcyclohexan-1-ol 
• 507-20-0 tertiary butyl chloride 
• 108-95-2 phenol 
• 96-76-4 2,4-di-tert-Butylphenol 

Downstream Products

• 55030-25-6 2,4-di-tert-butylcyclohexan-1-ol 

Relevant articles and documents

Aromatic compound hydrogenation and hydrodeoxygenation method and application thereof

The invention belongs to the technical field of medicines, and discloses an aromatic compound hydrogenation and hydrodeoxygenation method under mild conditions and application of the method in hydrogenation and hydrodeoxygenation reactions of the aromatic compounds and related mixtures. Specifically, the method comprises the following steps: contacting the aromatic compound or a mixture containing the aromatic compound with a catalyst and hydrogen with proper pressure in a solvent under a proper temperature condition, and reacting the hydrogen, the solvent and the aromatic compound under the action of the catalyst to obtain a corresponding hydrogenation product or/and a hydrodeoxygenation product without an oxygen-containing substituent group. The invention also discloses specific implementation conditions of the method and an aromatic compound structure type applicable to the method. The hydrogenation and hydrodeoxygenation reaction method used in the invention has the advantages of mild reaction conditions, high hydrodeoxygenation efficiency, wide substrate applicability, convenient post-treatment, and good laboratory and industrial application prospects.

Perfume composition

A perfume composition comprising 2,4-di-tert-butylcyclohexanone is disclosed. This perfume composition has a highly preferable and fresh scent and thus widely available in, for example, perfumes, cosmetics, hygienic products and medicines. The 2,4-di-tert