Methyl (4-oxocyclohexyl)acetate

Modify Date: 2025-08-22 11:12:19

Methyl (4-oxocyclohexyl)acetate Structure
Methyl (4-oxocyclohexyl)acetate structure
 Common Name Methyl (4-oxocyclohexyl)acetate
CAS Number 66405-41-2 Molecular Weight 170.206
Density 1.1±0.1 g/cm3 Boiling Point 247.8±13.0 °C at 760 mmHg
Molecular Formula C9H14O3 Melting Point N/A
MSDS N/A Flash Point 103.2±19.9 °C

 Names

Name methyl 2-(4-oxocyclohexyl)acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 247.8±13.0 °C at 760 mmHg
Molecular Formula C9H14O3
Molecular Weight 170.206
Flash Point 103.2±19.9 °C
Exact Mass 170.094299
PSA 43.37000
LogP 0.48
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.455
InChIKey AEZHUDXZHNLVKG-UHFFFAOYSA-N
SMILES COC(=O)CC1CCC(=O)CC1

 Safety Information

Hazard Codes Xi
HS Code 2918300090

 Synthetic Route

Methyl 4-Hydroxyphenylacetate structure

Methyl 4-Hydrox...

CAS#:14199-15-6

~96%

Methyl (4-oxocyclohexyl)acetate Structure

Methyl (4-oxocy...

CAS#:66405-41-2

Literature: RANBAXY LABORATORIES LIMITED Patent: US2011/124886 A1, 2011 ; Location in patent: Page/Page column 3 ;
(1,4-Dioxa-spiro[4.5]dec-8-YL)-acetic acid Methyl ester structure

(1,4-Dioxa-spir...

CAS#:317338-46-8

~99%

Methyl (4-oxocyclohexyl)acetate Structure

Methyl (4-oxocy...

CAS#:66405-41-2

Literature: Daiichi Sankyo Company, Limited Patent: EP2471777 A1, 2012 ; Location in patent: Page/Page column 10 ;
Methyl (4-oxocyclohexylidene)acetate structure

Methyl (4-oxocy...

CAS#:91158-10-0

~49%

Methyl (4-oxocyclohexyl)acetate Structure

Methyl (4-oxocy...

CAS#:66405-41-2

Literature: Seo, Jai Woong; Comninos, John S.; Chi, Dae Yoon; Kim, Dong Wook; Carlson, Kathryn E.; Katzenellenbogen, John A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 8 p. 2496 - 2511
1,4-Dioxaspiro[4.5]decan-8-one structure

1,4-Dioxaspiro[...

CAS#:4746-97-8

~%

Methyl (4-oxocyclohexyl)acetate Structure

Methyl (4-oxocy...

CAS#:66405-41-2

Literature: Daiichi Sankyo Company, Limited Patent: EP2471777 A1, 2012 ;
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate structure

Methyl 2-(1,4-d...

CAS#:172270-85-8

~%

Methyl (4-oxocyclohexyl)acetate Structure

Methyl (4-oxocy...

CAS#:66405-41-2

Literature: Daiichi Sankyo Company, Limited Patent: EP2471777 A1, 2012 ;
1,4-Cyclohexanedione structure

1,4-Cyclohexanedione

CAS#:637-88-7

~%

Methyl (4-oxocyclohexyl)acetate Structure

Methyl (4-oxocy...

CAS#:66405-41-2

Literature: Seo, Jai Woong; Comninos, John S.; Chi, Dae Yoon; Kim, Dong Wook; Carlson, Kathryn E.; Katzenellenbogen, John A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 8 p. 2496 - 2511

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

(4-Oxo-Cyclohexyl)-acetic acid methyl ester
methyl 4-oxocyclohexyl acetate
(4-Oxo-cyclohexyl)-acetic acid meth; yl ester
(4-Keto-cyclohexyl)essigsaeuremethylester
Cyclohexaneacetic acid, 4-oxo-, methyl ester
4-(methoxycarbonylmethyl)cyclohexanone
Methyl (4-oxocyclohexyl)acetate
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