39900-15-7

Basic information

• Product Name: 1-Butanone, 3-hydroxy-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
• CAS NO: 39900-15-7
• Molecular Formula: C13H22O2
• Molecular Weight: 210.316
• Mol File: 39900-15-7.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 1-Butanone, 3-hydroxy-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Butanone, 3-hydroxy-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-(39900-15-7)
• EPA Substance Registry System: 1-Butanone, 3-hydroxy-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-(39900-15-7)

Safety Data

• Hazardous Substances Data: 39900-15-7(Hazardous Substances Data)

Upstream product

• 39900-11-3 1-(2,6,6-trimethyl-2-cyclohexenyl)-1,3-butanedione 
• 878665-06-6 3-benzyloxy-1-(2,6,6-trimethyl-cyclohex-2-enyl)-butan-1-one 
• 24720-09-0 α-damascone 
• 25915-53-1 2,6,6-trimethyl-3-cyclohexenyl methyl ketone 

Downstream Products

• 57549-92-5 ⁽²⁾-1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one 

Relevant articles and documents

1 - (2, 6, 6 - trimethyl - cyclohexenyl) - 2 - butene - 1 - ketone

The invention provides a 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one preparation method, which comprises that 1-(2,6,6-trimethyl-3-cyclohexenyl)-1,3-butanedione is subjected to isomerization to obtained an isomerized product; and the isomerized product reacts to obtain 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one, wherein the 1-(2,6,6-trimethyl-cyclohexenyl)-2-buten-1-one comprises 1-(2,6,6-trimethyl-cyclohex-1-enyl)-2-buten-1-one and 1-(2,6,6-trimethyl-cyclohex-2-enyl)-2-buten-1-one. According to the present invention, the 1-(2,6,6-trimethyl-3-cyclohexenyl)-1,3-butanedione is adopted as the raw material, such that the oxidation of the alcohol into the ketone is avoided compared with the prior art, and the environmental pollution is low; and the route is simple, and the scale production is easily achieved.

Process for preparing 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-1,3-butanedione and intermediates

Described is a process for preparing an equilibrium mixture containing 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-1,3-butanedione and its enol, which equilibrium mixture contains compounds having the structures: STR1 which process involves first reacting a methyl magnesium halide with 1-acetyl-2,6,6-trimethyl-1,3-cyclohexadiene to form a first organometallic compound; reacting the first organometallic compound with an acetyl halide to form a second organometallic compound, a novel intermediate; and then reacting said second organometallic compound with a hydrolyzing agent such as aqueous acid to form said equilibrium mixture.

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.