2979-10-4

Basic information

• Product Name: Cyclohexanecarboxylic acid, 2,2-dimethyl-6-oxo-, ethyl ester
• CAS NO: 2979-10-4
• Molecular Formula: C11H18O3
• Molecular Weight: 198.262
• Mol File: 2979-10-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Cyclohexanecarboxylic acid, 2,2-dimethyl-6-oxo-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexanecarboxylic acid, 2,2-dimethyl-6-oxo-, ethyl ester(2979-10-4)
• EPA Substance Registry System: Cyclohexanecarboxylic acid, 2,2-dimethyl-6-oxo-, ethyl ester(2979-10-4)

Safety Data

• Hazardous Substances Data: 2979-10-4(Hazardous Substances Data)

Upstream product

• 146335-48-0 Ethyl 4-chloro-2,2-dimethyl-6-oxocyclohex-4-ene-1-carboxylate 
• 870-63-3 prenyl bromide 
• 5248-18-0 7-methyl-3-oxo-oct-6-enoic acid ethyl ester 
• 638-10-8 ethyl 3-methylbut-2-enoate 
• 556-82-1 3-methyl-2-buten-1-ol 

Downstream Products

• 2979-12-6 2-bromo-3,3-dimethylcyclohexanone 
• 2979-11-5 2,2-Dibrom-1,1-dimethyl-cyclohexanon-⁽³⁾ 
• 2979-13-7 4,4-Dibrom-1,1-dimethyl-cyclohexanon-⁽³⁾ 
• 2988-62-7 trans-2,6-Dibrom-3,3-dimethyl-cyclohexanon 
• 73956-64-6 ethyl 2,2-dimethyl-6-methylenecyclohexane-1-carboxylate 
• 432-25-7 2,6,6-trimethylcyclohex-1-enecarbaldehyde 
• 79-77-6 (E)-β-ionone 
• 1620084-74-3 (2E,4E,6E,8E)-3,7-dimethyl-9-{6,6-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl)-1-cyclohexenyl}-2,4,6,8-nonatetraenoicacid ethyl ester 
• 1620084-73-2 (2E,4E)-3-methyl-5-{6,6-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl)-1-cyclohexenyl}-2,4-pentadienal 
• 1620084-72-1 (2E,4E)-3-methyl-5-{6,6-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl)-1-cyclohexenyl}-2,4-pentadienol 
• 1620084-71-0 (2E,4E)-3-methyl-5-{6,6-dimethyl-2-(trifluoromethanesulfonyloxy)-1-cyclohexenyl}-2,4-pentadien-1-ol 
• 1620084-70-9 (2E,4E)-3-methyl-5-{6,6-dimethyl-2-(trifluoromehtanesulfonyloxy)}-2,4-pentadienoicacid ethyl ester 
• 4759-48-2 13-cis-retinoic acid 
• 1620084-69-6 6,6-dimethyl-2-(trifluoromethanesulfonyloxy)-1-cyclohexenecarboxaldehyde 

Relevant articles and documents

Scalable synthesis of the aroma compounds d6-β-ionone and d6-β-cyclocitral for use as internal standards in stable isotope dilution assays

C13 Norisoprenoids are important aroma compounds in wine, giving positive attributes to the overall wine aroma even when found at very low levels. β-Ionone is considered one of the most important aroma compounds giving violet, woody and raspberry aromas to wine, fruits and vegetables in which it is found. Due to its potent aroma at low levels, precise analytical methods are desired for its quantification. Stable isotope dilution assay (SIDA) is one of the most important of these methods but requires the use of isotopically labelled standards. Herein, we describe the scalable synthesis of d6-β-ionone and d6-β-cyclocitral, another aroma compound with smokey and fruity notes, starting from the relatively inexpensive deuterated starting material d6-acetone.