39190-09-5

Basic information

• Product Name: 3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole
• Synonyms: 3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole
• CAS NO: 39190-09-5
• Molecular Formula: C₁₃H₁₉NO
• Molecular Weight: 205.29606
• EINECS: 254-341-7
• Mol File: 39190-09-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 290.3°Cat760mmHg
• Flash Point: 68.4°C
• Appearance: /
• Density: 0.965g/cm³
• Vapor Pressure: 0.00362mmHg at 25°C
• Refractive Index: 1.485
• CAS DataBase Reference: 3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole(39190-09-5)
• EPA Substance Registry System: 3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole(39190-09-5)

Safety Data

• Hazardous Substances Data: 39190-09-5(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/h6,8,12H,5,7H2,1-4H3

Upstream product

• 887256-12-4 4'-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3'-buten-2'-ketoxime 
• 127-41-3 alpha-ionone 

Downstream Products

• 24720-09-0 α-damascone 
• 39190-08-4 2,3-dimethyl-5-(2,6,6-trimethyl-cyclohex-1-enyl)-isoxazolium; iodide 
• 39190-10-8 2,6,6-trimethyl-1-[3-amino-but-2-en-1-oyl]-cyclohex-2-ene 

Relevant articles and documents

Preparation process of alpha-damascenone

The invention relates to a preparation process of alpha-damascenone. The preparation process of the alpha-damascenone comprises the following steps: taking alpha-ionone, namely a compound A, as a rawmaterial, reacting the alpha-ionone with hydroxylamine hydrochloride to obtain alpha-oximes of ionones, namely a compound B; carrying out epoxidation on double bonds in the compound B to obtain alpha-epoxidized oximes of ionones, namely a compound C; dehydrating the compound C under the effect of acid to obtain alpha-ionone isoxazole derivative, namely a compound D; and carrying out reduction on the compound D to obtain a final product E which is the alpha-damascenone. The alpha-ionone is used as the raw material, the alpha-damascenone can be prepared by only four steps, the preparation process of the alpha-damascenone has the characteristics of short reaction period, low preparation cost, high yield of various steps and easiness in follow-up treatment, and is suitable for industrial production, and a gap of domestic industrial production of the product at present is filled.