39190-06-2

Basic information

• Product Name: 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole
• Synonyms: 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole
• CAS NO: 39190-06-2
• Molecular Formula: C₁₃H₁₉NO
• Molecular Weight: 205.29606
• EINECS: 254-340-1
• Mol File: 39190-06-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 295.1°C at 760 mmHg
• Flash Point: 72.6°C
• Appearance: /
• Density: 0.974g/cm³
• Vapor Pressure: 0.00275mmHg at 25°C
• Refractive Index: 1.49
• CAS DataBase Reference: 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole(39190-06-2)
• EPA Substance Registry System: 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole(39190-06-2)

Safety Data

• Hazardous Substances Data: 39190-06-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H19NO/c1-9-6-5-7-13(3,4)12(9)11-8-10(2)14-15-11/h8H,5-7H2,1-4H3

Upstream product

• 79-77-6 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 
• 174390-26-2 (E)-β-ionone oxime 
• 144-55-8 sodium hydrogencarbonate 

Downstream Products

• 35044-68-9 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one 
• 39190-08-4 2,3-dimethyl-5-(2,6,6-trimethyl-cyclohex-1-enyl)-isoxazolium; iodide 
• 39190-07-3 2,6,6-trimethyl-1-[3-amino-but-2-en-1-oyl]-cyclohex-1-ene 
• 23726-91-2 beta damascone 

Relevant articles and documents

Preparation method of damascenone

The invention relates to the field of fine chemistry of perfume and discloses a preparation method of damascenone. The preparation method comprises following steps: step 1, beta-ionone oxime is takenas a raw material and dissolved in an organic alcohol solvent, then a metal halide solution and a catalytic amount of elemental halogen are added, the reaction solution is heated to a certain temperature, peroxide is dropwise added, a stirring reaction is performed after peroxide is dropwise added, and a beta-ionone oxime isoxazole derivative is obtained after the reaction; step 2, after the beta-ionone oxime isoxazole derivative is dissolved in the solvent, organic alcohol and a catalyst are added, stirred and dissolved, hydrogen is introduced by negative-pressure nitrogen displacement, the solution is heated to a certain temperature and subjected to a reaction, and damascenone is obtained after the reaction. Consumption of halogen with high pollution and high corrosivity is avoided in the synthetic route, an efficient organic metal complex is screened in the step 2 and serves as the catalyst, high-pressure hydrogen is utilized for reduction, so that consumption of metallic sodium isavoided, and safety of the synthetic route in the industrial production is improved.

Process for the preparation of damascenone derivatives

New alicyclic ketones useful for perfumery and flavor industry and process for preparing same. Use of said compounds as perfuming and/or flavoring, ingredients in the manufacture of perfumes and perfumed products and/or in the preparation of artificial flavors for foodstuffs, beverages, animal feeds, pharmaceutical preparations and tobacco products.