7779-30-8

Basic information

• Product Name: 4-PENTEN-3-ONE, 5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)
• Synonyms: (1E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one;1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-on;1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-Penten-3-one;1-2,6,6-Trimethylcyclohex-2-en-1-yl;1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-;METHYL IONONE, N-;METHYL IONONE ALPHA;4-PENTEN-3-ONE, 5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)
• CAS NO: 7779-30-8
• Molecular Formula: C14H22O
• Molecular Weight: 206.32
• EINECS: 231-926-5
• Mol File: 7779-30-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 285.1oC at 760 mmHg
• Flash Point: 142 °C
• Appearance: /
• Density: 0.93
• Vapor Pressure: 0.00286mmHg at 25°C
• Refractive Index: 1.4980-1.5020
• Stability: Stable. Combustible. Incompatible with strong acid, alkalies, strong oxidizing agents.
• CAS DataBase Reference: 4-PENTEN-3-ONE, 5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)(CAS DataBase Reference)
• NIST Chemistry Reference: 4-PENTEN-3-ONE, 5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)(7779-30-8)
• EPA Substance Registry System: 4-PENTEN-3-ONE, 5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)(7779-30-8)

Safety Data

• Hazardous Substances Data: 7779-30-8(Hazardous Substances Data)

Usage

General Description

Clear, colorless to yellow liquid with a woody, violet odor.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

4-PENTEN-3-ONE, 5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL) is incompatible with strong acids, alkalis or oxidizing agents. .

Fire Hazard

4-PENTEN-3-ONE, 5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL) is probably combustible.

InChI:InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8-

Upstream product

• 945760-05-4 (S,E)-1-((R)-2,6,6-trimethylcyclohex-2-enyl)pent-1-en-3-ol 
• 945760-13-4 (R,E)-1-((S)-2,6,6-trimethylcyclohex-2-enyl)pent-1-en-3-ol 
• 26651-96-7 7,11-dimethyl-dodeca-4,6,10-trien-3-one 
• 126456-65-3 ethyl 3-(2,6,6-trimethyl-2-cyclohexenyl)-2-propenoate 
• 51768-75-3 (E)-3-(2,6,6-trimethylcyclohex-2-enyl)prop-2-en-1-ol 
• 51768-83-3 3-(2',6',6'-trimethylcyclohex-2'-en-1'-yl)prop-2-enal 
• 37384-69-3 3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-propenoic acid 
• 945760-14-5 (R,E)-1-((S)-2,6,6-trimethylcyclohex-2-enyl)pent-1-en-3-yl acetate 
• 436099-50-2 (E)-1-(2,6,6-trimethylcyclohex-2-enyl)pent-1-en-3-ol 
• 1094742-87-6 (E)-1-(2,2-dimethyl-6-methylenecyclohexyl)pent-1-en-3-one 
• 5392-40-5 (E/Z)-3,7-dimethyl-2,6-octadienal 
• 93302-56-8 alpha-Methyl-ionone 
• 78-93-3 butanone 
• 1117-41-5 pseudoionone 

Relevant articles and documents

Synthesis, olfactory evaluation and determination of the absolute configuration of the β- and γ-Iralia isomers

The regioselective synthesis of the methyl-ionone isomers 6-9 is described. The enantiomers of the γ-isomers 8 and 9 are prepared by enzyme-mediated resolution of the corresponding 4-hydroxy derivatives followed by reductive elimination of the hydroxy group. The absolute configuration of the latter compound is determined by chemical correlation with the known α-isomers. Since all the isomers obtained are components of the artificial violet odourants sold under the trade name of Iralia, their odour properties are evaluated by professional perfumers.

CONTINUOUS PROCESS FOR PRODUCING PSEUDOIONONES AND IONONES

The invention relates to a continuous process for producing pseudoionones of general formulas (I) and (I′) as well as isomers thereof, whereby: R1represents CH3 or (a); R2 and R3 represent hydrogen, CH3 or C2H5, and; R4 and R5represent hydrogen or CH3. These pseudoionones are produced by reacting an aldehyde of formula (II) with an excess of a ketone of general formula (III), whereby R1, R2 and R3 have the aforementioned meanings, in the presence of water and alkali hydroxide at an increased temperature and in a homogeneous solution. The inventive process is characterized in that: a) the intermixing of the homogeneous solution consisting of aldehyde, ketone and aqueous alkali lye occurs at a temperature ranging from 10 to 120 °C; b) the undissolved water and alkali hydroxide contained in the reaction mixture are subsequently separated out; c) while avoiding back mixing, the homogeneous reaction mixture is then guided through a reactor, which permits a residence time ranging from 2 to 300 minutes, at a temperature that is 10 to 120 °C higher than the boiling point of the lowest-boiling component and under a vapor pressure p ranging from 106 to 107 Pa; d) the reaction mixture is cooled by expansion; e) ketone is removed from the reaction mixture using vapor flowing in the opposite direction and; f) the raw product is dried and rid from excessive aldehyde and secondary components via a rectification column.

Synthesis and biological activity of methyl 3-demethyl-abscisate and its related analogs

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