43219-68-7

Basic information

• Product Name: 1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one
• Synonyms: 1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one;Ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-;1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE;4-Acetyl-1,4-dimethyl-1-cyclohexene
• CAS NO: 43219-68-7
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.23344
• EINECS: 256-150-4
• Mol File: 43219-68-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 205.2°Cat760mmHg
• Flash Point: 72.8°C
• Appearance: /
• Density: 0.909g/cm³
• Vapor Pressure: 0.253mmHg at 25°C
• Refractive Index: 1.459
• CAS DataBase Reference: 1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one(43219-68-7)
• EPA Substance Registry System: 1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one(43219-68-7)

Safety Data

• Hazardous Substances Data: 43219-68-7(Hazardous Substances Data)

Usage

Description

1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one, also known as 1,4-Dimethyl-4-acetyl-1-cyclohexene, is an organic compound with a distinct acid, fruity odor reminiscent of nerolin and a similar taste. It is characterized by its unique chemical structure, which includes a cyclohexene ring with methyl groups at positions 1 and 4, and an acetyl group attached to the 4-position.

Uses

Used in Flavor and Fragrance Industry:
1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one is used as a flavoring agent for its acid, fruity odor and taste, which is similar to nerolin. It is particularly useful in the creation of various fragrances and flavors, adding a unique and pleasant aroma to products.
Used in Chemical Synthesis:
Due to its unique chemical structure, 1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one can be used as a building block or intermediate in the synthesis of various organic compounds. Its reactivity and functional groups make it a valuable component in the development of new chemicals with specific properties and applications.
Used in Research and Development:
1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one's distinct chemical properties and structure make it an interesting subject for research and development in various fields, such as organic chemistry, materials science, and pharmaceuticals. It can be used to study the effects of structural modifications on the properties and reactivity of organic compounds, leading to the discovery of new compounds with potential applications in various industries.

InChI:InChI=1/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3

Upstream product

• 83258-26-8 4-(1,3-dimethyl-3-cyclohexenyl)-1,6-heptadien-4-ol 
• 78-79-5 isoprene 
• 814-78-8 3-Methyl-3-buten-2-one 
• 6090-09-1 (+-)-4-acetyl-1-methylcyclohexene 
• 74-88-4 methyl iodide 
• 83258-27-9 4-(1,4-dimethyl-3-cyclohexenyl)-1,6-heptadien-4-ol 

Relevant articles and documents

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Stereochemistry of an Ene Reaction involving 1,7-Dienes; Bicyclononanes from (3-Cyclohexenyl)diallylcarbinols

(3-Cyclohexenyl)diallylcarbinols undergo a thermal retro-ene reaction to give crotonylcyclohexenes at ca. 200 degC.A side-reaction is an ene reaction to give bicyclononanes.These become the main products above 300 degC.The stereochemistry of 2-allyl-1,4,6-trimethylbicyclo-6-nonen-2-ols and related compounds is discussed, and a case is described in which the allyl group is not freely rotating.