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

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)

Upstream product

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

Downstream Products

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

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.

CONDENSATION OF ETHYL AND METHYL 4-(TRIPHENYLPHOSPHORANYLIDENE)-3-OXOBUTANOATE WITH ENALS

The manipulation of the mode of reaction of 4-(phosphoranylidene)-3-oxobutanoates with enals and a resulting new synthesis of ethyl β-safranate have been explored.

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.

Cycloaliphatic unsaturated ketones as fragrance modifying agents

New cycloaliphatic unsaturated ketones and their use as perfuming and odor-modifying agents in the manufacture of perfumes and perfumed products, and as flavoring and taste-modifying agents in the preparation of foodstuffs in general and imitation flavors for foodstuffs, beverages, animal feeds, pharmaceutical preparations and tobacco products. Methods for preparing the said new compounds and certain of the starting materials used for their synthesis.

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.