51769-11-0

Basic information

• Product Name: ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate
• Synonyms: ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate;4-Hydroxy-2,6,6-trimethyl-2-cyclohexene-1-carboxylic acid ethyl ester;2-Cyclohexene-1-carboxylic acic, 4-hydroxy-2,6,6-trimethyl-, ethyl ester;Einecs 257-402-6;2-Cyclohexene-1-carboxylic acid, 4-hydroxy-2,6,6-triMethyl-, ethyl ester;4-Hydroxy-2,6,6-triMethyl-cyclohex-2-enecarboxylic acid ethyl ester
• CAS NO: 51769-11-0
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.2854
• EINECS: 257-402-6
• Mol File: 51769-11-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 283.5°C at 760 mmHg
• Flash Point: 108.9°C
• Appearance: /
• Density: 1.024g/cm³
• Vapor Pressure: 0.000366mmHg at 25°C
• Refractive Index: 1.476
• CAS DataBase Reference: ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate(51769-11-0)
• EPA Substance Registry System: ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate(51769-11-0)

Safety Data

• Hazardous Substances Data: 51769-11-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H20O3/c1-5-15-11(14)10-8(2)6-9(13)7-12(10,3)4/h6,9-10,13H,5,7H2,1-4H3

Upstream product

• 23069-06-9 4,4-(Ethylendioxy)-2,6,6-trimethyl-1-cyclohexen-1-carbonsaeure-ethylester 
• 35044-52-1 ethyl 2-acetyl-3-methylbut-2-enoate 
• 23068-96-4 ethyl 2,6,6-trimethyl-4-oxocyclohex-2-ene-1-carboxylate 

Downstream Products

• 70416-88-5 2,6,6-trimethyl-cyclohexa-2,4-dienecarboxylic acid 

Relevant articles and documents

Lipase-mediated resolution of the hydroxy-cyclogeraniol isomers: application to the synthesis of the enantiomers of karahana lactone, karahana ether, crocusatin C and γ-cyclogeraniol

A comprehensive study on the lipase PS-mediated resolution of different hydroxy-geraniol isomers is reported. A number of α-, β- and γ-isomers bearing a 2-, 3- or 4-hydroxy functional group were synthesised regioselectively and then submitted to the lipase-mediated kinetic acetylation. The latter experiments showed that the 2-hydroxy isomers 4, 5 and 14 (α, γ and β, respectively) as well as cis-3-hydroxy α-cyclogeraniol 7 and cis-4-hydroxy γ-cyclogeraniol 10 could be easily resolved by this procedure. The enantiomeric purity of the main part of these compounds was increased by recrystallisation and the enantiopure diols obtained were used as building blocks for the synthesis of the natural terpenoids karahana lactone, karahana ether and crocusatin C and for the preparation of the synthetic intermediate γ-cyclogeraniol. The absolute configurations of the enantiomers of the diols 7, 10, 14 and 19 were determined by chemical correlation with the known compounds 40, 41, 39 and 41, respectively.

Absolute configuration of xanthophyll (lutein)

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