ChemicalBook--->CAS DataBase List--->17159-79-4

17159-79-4

17159-79-4 Structure

17159-79-4 Structure
IdentificationMore
[Name]

Ethyl 4-oxocyclohexanecarboxylate
[CAS]

17159-79-4
[Synonyms]

4-CYCLOHEXANONECARBOXYLIC ACID ETHYL ESTER
4-(ETHOXYCARBONYL)CYCLOHEXANONE
4-OXO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER
CYCLOHEXANONE-4-CARBOXYLIC ACID ETHYL ESTER
ETHYL 4-CYCLOHEXANONECARBOXYLATE
ETHYL 4-OXOCYCLOHEXANECARBOXYLATE
ETHYL CYCLOHEXANONE-4-CARBOXYLATE
ethyl 4-oxocyclohexancarboxylate
CyclohexanonecarboxylicAcidEthylEster,4-
Cyclohexanecarboxylic acid, 4-oxo-, ethyl ester
4-CYCLOHEXANONECARBOXYLIC ACID ETHYL ESTER 98+%
4-(Ethoxycarbonyl)cyclohexanone, Ethyl cyclohexanone-4-carboxylate
E2KH
Ethyloxocyclohexanecarboxylate
[EINECS(EC#)]

1806241-263-5
[Molecular Formula]

C9H14O3
[MDL Number]

MFCD00013285
[Molecular Weight]

170.21
[MOL File]

17159-79-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Melting point ]

221-226 °C
[Boiling point ]

150-152 °C/40 mmHg (lit.)
[density ]

1.068 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.461(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol
[form ]

Liquid
[color ]

Clear colorless to yellow
[Specific Gravity]

1.07
[Water Solubility ]

insoluble
[BRN ]

2520501
[InChI]

InChI=1S/C9H14O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7H,2-6H2,1H3
[InChIKey]

ZXYAWONOWHSQRU-UHFFFAOYSA-N
[SMILES]

C1(C(OCC)=O)CCC(=O)CC1
[CAS DataBase Reference]

17159-79-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Harmful/Irritant
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29183000
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellow liquid
[Uses]

Employed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.2
[Uses]

Ethyl 4-oxocyclohexanecarboxylate is a cyclohexanone derivative used in the study of cyclohexanone monooxygenase and its mutants as catalysts.It is also employed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.
[Definition]

ChEBI: Ethyl 4-oxocyclohexanecarboxylate is an ethyl ester resulting from the formal condensation of the carboxy group of 4-oxocyclohexanecarboxylic acid with ethanol. It is an ethyl ester, a cyclohexanecarboxylate ester and a member of cyclohexanones. It is functionally related to a 4-oxocyclohexanecarboxylic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 4-oxocyclohexanecarboxylate(17159-79-4)MS
Ethyl 4-oxocyclohexanecarboxylate(17159-79-4)1HNMR
Ethyl 4-oxocyclohexanecarboxylate(17159-79-4)13CNMR
Ethyl 4-oxocyclohexanecarboxylate(17159-79-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 4-oxocyclohexanecarboxylate, 97%(17159-79-4)
[Alfa Aesar]

Ethyl 4-oxocyclohexanecarboxylate, 97%(17159-79-4)
[Sigma Aldrich]

17159-79-4(sigmaaldrich)
[TCI AMERICA]

Ethyl 4-Cyclohexanonecarboxylate,>98.0%(GC)(17159-79-4)
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