35044-59-8

Basic information

• Product Name: ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate
• Synonyms: 1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester; Ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate; ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
• CAS NO: 35044-59-8
• Molecular Formula: C₁₂H₁₈O₂
• Molecular Weight: 194.2701
• EINECS: 252-335-9
• Mol File: 35044-59-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 246.8°C at 760 mmHg
• Flash Point: 95.8°C
• Density: 0.963g/cm³
• Vapor Pressure: 0.0266mmHg at 25°C
• Refractive Index: 1.472
• CAS DataBase Reference: ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate(35044-59-8)
• EPA Substance Registry System: ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate(35044-59-8)

Safety Data

• Hazardous Substances Data: 35044-59-8(Hazardous Substances Data)

Usage

General Description

Ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate is a chemical compound that belongs to the ester class of organic compounds. It is derived from the condensation of 3,5,5-trimethyl-cyclohex-2-en-1-one and ethanol, yielding a clear, colorless liquid with a fruity odor. Ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate is commonly used as a flavoring agent in the food and beverage industry due to its pleasant aroma. It is also utilized for its fragrance in perfumes and personal care products. Additionally, it is used in the synthesis of various other organic compounds and is also employed as a solvent in industrial applications.

Upstream product

• 15681-48-8 dimethyllithium cuprate 
• 114114-83-9 2-(Diethoxy-phosphoryloxy)-6,6-dimethyl-cyclohexa-1,3-dienecarboxylic acid ethyl ester 
• 15681-48-8 lithium dimethylcuprate 
• 35044-57-6 ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate 

Downstream Products

• 116-26-7 safranal 
• 34341-29-2 2,3,6-trimethylbenzaldehyde 
• 23726-91-2 beta damascone 
• 23726-93-4 Damascenon 
• 4436-51-5 1-hydroxymethyl-2,6,6-trimethylcyclohexa-1,3-diene 

Relevant articles and documents

Preparation of alkyl 3-methylalka-2,4-dienoates from γ,δ-unsaturated β-keto esters via the corresponding conjugated unsaturated 3-enol phosphates

Methylation of α,β,γ,δ-unsaturated-β-substituted enol phosphates with lithium dimethyl cuprate gave a mixture of (2E,4E)- and (2Z,4E) alkyl 3- methylalka-2,4-dienoates and unsubstituted alkyl alka-2,4-dienoates. An improved synthesis is described for ethyl β-safranate and the insect growth regulator hydroprene.

Oxygenated alicyclic compounds and process for preparing same

New oxygenated alicyclic compounds of formula STR1 (X=OH, alkyl, O-alkyl) are useful as starting materials for the preparation of cyclohexadienic derivatives of formula STR2 (X=OH, alkyl, O-alkyl). They are converted into compounds (III) by treating them with an acidic dehydrating agent in the presence of an inert organic solvent. Compounds (I) are manufactured by reacting compounds (II) STR3 (X=OH, alkyl, O-alkyl) with an organic peracid.

Preparation of cyclohexadiene compounds

Cyclohexadienes are produced by heating in the presence of an organic solvent a compound of the formula: EQU1 wherein X is either --COCH3 or --COOR1, R1 is a lower alkyl group. The preferred cyclohexadienes are useful as intermediates in the preparation of odorants.