Methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate

Modify Date: 2025-08-25 17:14:53

Methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate Structure
Methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate structure
Common Name Methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate
CAS Number 50388-51-7 Molecular Weight 184.232
Density 1.0±0.1 g/cm3 Boiling Point 245.2±33.0 °C at 760 mmHg
Molecular Formula C10H16O3 Melting Point N/A
MSDS N/A Flash Point 100.5±25.4 °C

 Names

Name methyl 5,5-dimethyl-2-oxocyclohexane-1-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 245.2±33.0 °C at 760 mmHg
Molecular Formula C10H16O3
Molecular Weight 184.232
Flash Point 100.5±25.4 °C
Exact Mass 184.109940
PSA 43.37000
LogP 1.32
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.450
InChIKey SFXQJROVECIHKO-UHFFFAOYSA-N
SMILES COC(=O)C1CC(C)(C)CCC1=O

 Safety Information

Hazard Codes Xn

 Synthetic Route

~92%

Methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate Structure

Methyl 5,5-dime...

CAS#:50388-51-7

Literature: Madder, Annemieke; De Clercq, Pierre J.; Declercq, Jean-Paul Journal of Organic Chemistry, 1998 , vol. 63, # 8 p. 2548 - 2559

~%

Methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate Structure

Methyl 5,5-dime...

CAS#:50388-51-7

Literature: Strunz, George M.; Bethell, Richard; Dumas, Michael T.; Boyonoski, Nick Canadian Journal of Chemistry, 1997 , vol. 75, # 6 p. 742 - 753

~%

Methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate Structure

Methyl 5,5-dime...

CAS#:50388-51-7

Literature: Tschudi; Schinz Helvetica Chimica Acta, 1950 , vol. 33, p. 1865,1869

 Synonyms

5,5-Dimethyl-2-oxo-cyclohexancarbonsaeure-methylester
2-carbomethoxy-4,4-dimethylcyclohexanone
4,4-dimethyl-2-carbomethoxycyclohexanone
4,4-dimethyl-2-methoxycarbonylcyclohexanone
Cyclohexanecarboxylic acid,5,5-dimethyl-2-oxo-,methyl ester
Cyclohexanecarboxylic acid, 5,5-dimethyl-2-oxo-, methyl ester
5,5-dimethyl-2-oxo-cyclohexanecarboxylic acid methyl ester
Methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate
methyl 5,5-dimethyl-2-oxo-cyclohexanecarboxylate
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