57499-57-7

Basic information

• Product Name: 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one
• Synonyms: 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one;EINECS 260-772-1;1-[1,6-Dimethyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]ethanone;Ethanone, 1-(1,6-dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl)-;Ethanone, 1-(1,6-dimethyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl)-
• CAS NO: 57499-57-7
• Molecular Formula: C₁₆H₂₆O
• Molecular Weight: 234.37704
• EINECS: 260-772-1
• Mol File: 57499-57-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 309.3°Cat760mmHg
• Flash Point: 125.5°C
• Appearance: /
• Density: 0.886g/cm³
• Vapor Pressure: 0.000644mmHg at 25°C
• Refractive Index: 1.468
• CAS DataBase Reference: 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one(57499-57-7)
• EPA Substance Registry System: 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one(57499-57-7)

Safety Data

• Hazardous Substances Data: 57499-57-7(Hazardous Substances Data)

Usage

Natural Occurrence

Found in the peels of citrus fruits such as oranges, lemons, and limes

Usage

Commonly used as a flavoring agent in food and beverages, as well as in the production of fragrances and cleaning products

Aroma

Known for its strong citrus aroma

Aromatherapy

Often used in aromatherapy for its uplifting and mood-enhancing properties

Health Benefits

Possesses antioxidant and anti-inflammatory properties

Research

Studied for its potential anti-cancer and anti-tumor effects

Applications

Versatile and useful chemical with a wide range of applications in various industries

InChI:InChI=1/C16H26O/c1-12(2)7-6-8-15-9-10-16(5,14(4)17)13(3)11-15/h7,9,13H,6,8,10-11H2,1-5H3

Upstream product

• 565-62-8 3-methylpent-3-en-2-one 
• 123-35-3 7-methyl-3-methene-1,6-octadiene 

Downstream Products

• 54464-57-2 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-ethan-1-one 
• 68155-67-9 (1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl) ethanone 

Relevant articles and documents

Preparation method of ambrotone for improving fragrance quality of ambergris

The invention provides a preparation method of ambrotone for improving fragrance quality of ambergris. The method comprises the following steps: (1) 3-methyl-3-penten-2-ketone is synthesized; (2) an intermediate product cyclic ketone is obtained by a Diels-Alder reaction; (3) a cyclization reaction is carried out, wherein a certain amount of strong acids and lower alcohol solvents are added into a reaction vessel, the raw material intermediate product cyclic ketone is added drop by drop at a certain temperature, the reaction is carried with stirring for 5-10 hour, and the product ambrotone is obtained. Compared with the prior art, the method is advantageous in that content of an ambargris fragrance compound 1-(1,2,3,4,5,6,7,8a-octahydro-1,2,8,8-tetramethyl-2-acetonaphthone) with lower fragrance threshold value is increased from 2% to 5% or above, finally ambargris fragrance of the ambrotone product is improved; nearly no pollution generates in the production process, the yield is high, and the method is suitable for industrial production.