54464-57-2

Basic information

• Product Name: 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone
• Synonyms: 7-ACETYL, 1,2,3,4,5,6,7,8-OCTAHYDRO-1,1,6,7-TETRAMETHYL NAPHTHALENE;2-ACETONAPHTHONE-1,2,3,4,5,6,7,8-OCTAHYDRO-2,3,8,8-TETRAMETHYL;1-(2,3,8,8-TETRAMETHYL-1,2,3,4,5,6,7,8-OCTAHYDRO-NAPHTHALEN-2-YL)-ETHANONE;ISOCYCLEMONE E;ISO E;ISO E SUPER;1-(1,2,3,4,5,6,7,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-Ethanone;1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-ethanon
• CAS NO: 54464-57-2
• Molecular Formula: C₁₆H₂₆O
• Molecular Weight: 234.38
• EINECS: 259-174-3
• Product Categories: All Aliphatics;Aliphatics;As an aroma chemical in various fragrance applications
• Mol File: 54464-57-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 312.2 °C at 760 mmHg
• Flash Point: 127.7 °C
• Appearance: Clear yellow liquid
• Density: 0.95 g/cm³
• Vapor Pressure: 0.000538mmHg at 25°C
• Refractive Index: 1.493
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Stability: Light Sensitive
• CAS DataBase Reference: 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone(54464-57-2)
• EPA Substance Registry System: 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone(54464-57-2)

Safety Data

• Hazardous Substances Data: 54464-57-2(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 54464-57-2 differently. You can refer to the following data:
1. 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone is Clear Yellow Liquid
2. (1-1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one is a synthetic amber fragrance. It is prepared by a Diels–Alder reaction of myrcene and 3-methyl-3- penten-2-one in the presence of aluminum chloride and cyclization of the substituted cyclohexenylmethyl ketone intermediate with phosphoric acid. Some of the corresponding 3-naphthalenyl methyl ketone is also formed. The commercial product is a mixture of isomers. The typical woody odor is attributed to 1-[(1R*,2R*,8aS*)-1,2,3,5,6,7,8,8a-octahydro-1,2,8,8-tetramethylnaphthalen- 2-yl]ethan-one, at less than 5% content, a minor constituent of the mixture.The ketone is used in perfume bases for soaps, eau de cologne, and detergent compositions.

Uses

Different sources of media describe the Uses of 54464-57-2 differently. You can refer to the following data:
1. 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone is used as scent in perfumes, laundry products and cosmetics
2. Synthetic woody odorant. Used as scent in perfumes, laundry products and cosmetics.

Trade name

Iso E Super? (IFF), Amberonne (Agan), Anthamber (DRT), Orbitone? (Takasago).

InChI:InChI=1/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3

Upstream product

• 565-62-8 3-methylpent-3-en-2-one 
• 123-35-3 7-methyl-3-methene-1,6-octadiene 
• 57499-57-7 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one 

Downstream Products

• 1023743-97-6 2-naphthalenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,2,3,8,8-pentamethyl- 

Relevant articles and documents

Method for preparing ambrotone

The invention relates to a method for preparing ambrotone. The method includes steps of 1, synthesizing 3-methyl-3-pentene-2-ketone; 2, carrying out diene addition for preparing ambrotone intermediates; 3, carrying out cyclization reaction to prepare the ambrotone. Diene addition for preparing the ambrotone intermediates is carried out without catalysts by the aid of high-temperature gas-phase reaction. The method has the advantages that the ambrotone is prepared from raw materials beta-pinene, butanone and acetaldehyde, other organic solvents are omitted, high-pollution and high-carcinogenesis substances such as benzene and toluene are omitted, accordingly, the cost can be lowered, the quality of products can be effectively improved, the application range of the products can be effectively expanded, and Diels-Alder condensation reaction is carried out by the aid of the high-temperature gas-phase reaction; the Diels-Alder condensation reaction is carried out by the aid of the high-temperature gas-phase reaction or atomized small-molecule water drop and gas phases, catalysts such as Lewis acid or proton acid are omitted at reaction steps, accordingly, the production cost can be lowered, technological equipment can be simplified, post-reaction treatment working procedures can be shortened, and the purpose of zero sewage discharge can be truly achieved.

PERFUME COMPOSITIONS

Perfume ingredients have been investigated and classified for their effectiveness in detaching biofilms from surfaces. Based on this classification, perfume compositions that are effective in assisting biofilm detachment can be formulated, whilst also allowing a degree of freedom in formulation that permits consideration of the hedonic properties of the composition. The compositions can be used in a wide range of perfumed consumer products, such as personal, domestic and industrial products, e.g. hard surface cleaning products, dental care products, and deodorant products.