53319-91-8

Basic information

• Product Name: 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)-
• Synonyms: (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-ol Acetate
• CAS NO: 53319-91-8
• Molecular Formula: C15H24O2
• Molecular Weight: 236.354
• Mol File: 53319-91-8.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)-(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)-(53319-91-8)
• EPA Substance Registry System: 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)-(53319-91-8)

Safety Data

• Hazardous Substances Data: 53319-91-8(Hazardous Substances Data)

Usage

Description

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)is a complex organic compound characterized by its unique molecular structure. It is a derivative of 3-buten-2-ol, featuring a 2,6,6-trimethyl-1-cyclohexen-1-yl group and an acetate functional group. 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)is known for its potential applications in various chemical and industrial processes due to its versatile chemical properties.

Uses

Used in Chemical Synthesis:
3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)is used as a key intermediate in the synthesis of various organic compounds. Its unique structure allows it to serve as a building block for the creation of more complex molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)is used as a starting material for the synthesis of various bioactive compounds. Its ability to be modified and functionalized makes it a valuable asset in the development of new drugs and therapeutic agents.
Used in Fragrance Industry:
3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)is also utilized in the fragrance industry as a component in the creation of various scents. Its unique aroma profile contributes to the development of new and innovative fragrances.
Used in Flavor Industry:
In the flavor industry, 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)is employed as a component in the development of new and unique flavors for the food and beverage sector. Its distinct taste profile adds depth and complexity to various flavor formulations.
Used in Synthesis of Ionyltrimethylsilanes:
3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)is used as a precursor in the synthesis of ionyltrimethylsilanes. These silane compounds are effective building blocks for the synthesis of terpenes and carotenoids, which are essential components in various industries, including pharmaceuticals, agriculture, and cosmetics.

Upstream product

• 79-77-6 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 
• 141-78-6 ethyl acetate 
• 79-77-6 (E)-β-ionone 
• 22029-76-1 beta-ionol 
• 75-36-5 acetyl chloride 
• 108-24-7 acetic anhydride 

Downstream Products

• 23726-93-4 Damascenon 
• 23726-91-2 beta damascone 
• 127724-41-8 C₁₃H₂₁⁽²⁾H 
• 127724-40-7 C₁₃H₂₁⁽²⁾H 
• 82848-18-8 1,12-Bis(2,6,6-trimethylcyclohex-1-enyl)-3,6,10-trimethyldodeca-1,3,5,7,9,11-hexaene 
• 180729-68-4 2-[(E)-1-Methyl-3-(2,6,6-trimethyl-cyclohex-1-enyl)-allyl]-2-phenylselanyl-malonic acid dimethyl ester 
• 180729-69-5 2-[(E)-1-Methyl-3-(2,6,6-trimethyl-cyclohex-1-enyl)-allylidene]-malonic acid dimethyl ester 
• 127724-39-4 (E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)-3-(trimethylsilyl)but-1-ene 
• 77837-61-7 (β-Ionyl)triphenylphosphonium Chloride 
• 74423-06-6 2-<(E,E)-buta-1',3'-dien-1'-yl>-1,3,3-trimethylcyclohexene 
• 40244-26-6 2-((E)-But-1-enyl)-1,3,3-trimethyl-cyclohexene 
• 53941-13-2 (E)-2-(2-butenyl)-1,3,3-trimethyl-1-cyclohexene 

Relevant articles and documents

Regio- and stereoselective monoepoxidation of dienes using methyltrioxorhenium: Synthesis of allylic epoxides

Methyltrioxorhenium (MTO) complexed with pyridine was shown to be a highly effective catalyst for the regioselective monoepoxidation of conjugated di- and trienes using 30% H2O2 at or below room temperature. The resultant allylic epo

Transformation of α- and β-Ionones into α- and β-Damascone and β-Damascenone Using Allylsilane Chemistry

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Isolation and Identification of the Polyenes Formed During the Thermal Degradation of β,β-Carotene

It has been proposed that carotenoid natural products are the source of part of the aromatic fraction of petroleum.In order to understand the mechanisms by which carotenoids are converted to aromatic products, an investigation of the polyene intermediates formed in the thermal degradation of β,β-carotene was initiated.As a result of this investigation, four polyene intermediates have been isolated and identified: 1,12-bis(2,6,6-trimethylcyclohex-1-enyl)-3,6,10-trimethyldodeca-1,3,5,7,9,11-hexaene, 1,12-bis(2,6,6-trimethylcyclohex-1-enyl)-3,7-dimethyldodeca-1,3,5,7,9, 11-hexaene, 1,6-bis(2,6,6-trimethylcyclohex-1-enyl)-3-methylhexa-1,3,5-triene, and 1,6-bis(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-triene.Independent syntheses confirmed the structures of the polyene intermediates. 1H NMR established the type and number of methyl substituents.Mass spectra of the saturated analogues confirmed the positions of the in-chain methyl substituents.The structures of the polyene intermediates are consistent with proposals that β,β-carotene thermally degrades by a series of symmetry-allowed electrocyclic processes followed by a thermal elimination.However, not all of the degradation products arise from electrocyclic-type processes.The presence of 1,1,3-trimethylcyclohexane and long chain aromatics indicates that disproportionation reactions are occurring in the complex degradation reaction.