4-Cyclohexyl-3-oxo-butyric acid ethyl ester

Modify Date: 2025-09-21 11:52:41

4-Cyclohexyl-3-oxo-butyric acid ethyl ester Structure
4-Cyclohexyl-3-oxo-butyric acid ethyl ester structure
Common Name 4-Cyclohexyl-3-oxo-butyric acid ethyl ester
CAS Number 64127-44-2 Molecular Weight 212.28500
Density 1.008g/cm3 Boiling Point 292.336ºC at 760 mmHg
Molecular Formula C12H20O3 Melting Point N/A
MSDS N/A Flash Point 123.844ºC

 Names

Name Ethyl 4-cyclohexyl-3-oxobutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.008g/cm3
Boiling Point 292.336ºC at 760 mmHg
Molecular Formula C12H20O3
Molecular Weight 212.28500
Flash Point 123.844ºC
Exact Mass 212.14100
PSA 43.37000
LogP 2.47910
Index of Refraction 1.457
InChIKey OQRIUDRGMXITRM-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)CC1CCCCC1

 Safety Information

HS Code 2918300090

 Synthetic Route

~10%

4-Cyclohexyl-3-oxo-butyric acid ethyl ester Structure

4-Cyclohexyl-3-...

CAS#:64127-44-2

Literature: SCHERING CORPORATION; PHARMACOPEIA, INC. Patent: WO2004/22559 A1, 2004 ; Location in patent: Page 32 ; WO 2004/022559 A1

~55%

4-Cyclohexyl-3-oxo-butyric acid ethyl ester Structure

4-Cyclohexyl-3-...

CAS#:64127-44-2

Literature: PHENEX PHARMACEUTICALS AG; GEGE, Christian; KINZEL, Olaf; STEENECK, Christoph; KLEYMANN, Gerald; HOFFMANN, Thomas Patent: WO2014/23367 A1, 2014 ; Location in patent: Page/Page column 109 ;

~75%

4-Cyclohexyl-3-oxo-butyric acid ethyl ester Structure

4-Cyclohexyl-3-...

CAS#:64127-44-2

Literature: Lager, Erik; Nilsson, Jakob; stergaard Nielsen, Elsebet; Nielsen, Mogens; Liljefors, Tommy; Sterner, Olov Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 14 p. 6936 - 6948

~%

4-Cyclohexyl-3-oxo-butyric acid ethyl ester Structure

4-Cyclohexyl-3-...

CAS#:64127-44-2

Literature: Bioorganic and Medicinal Chemistry, , vol. 7, # 6 p. 991 - 1002

~%

4-Cyclohexyl-3-oxo-butyric acid ethyl ester Structure

4-Cyclohexyl-3-...

CAS#:64127-44-2

Literature: US2444024 , ;

~%

4-Cyclohexyl-3-oxo-butyric acid ethyl ester Structure

4-Cyclohexyl-3-...

CAS#:64127-44-2

Literature: US2444024 , ;

~%

4-Cyclohexyl-3-oxo-butyric acid ethyl ester Structure

4-Cyclohexyl-3-...

CAS#:64127-44-2

Literature: Monatshefte fuer Chemie, , vol. 120, p. 891 - 898

 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

ethyl 4-cyclohexyl-3-oxobutanoate
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