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E35702

Sigma-Aldrich

Ethyl 4-methyl-2-cyclohexanone-1-carboxylate

Synonym(s):

4-Methyl-2-oxocyclohexanecarboxylic acid ethyl ester, Ethyl 4-methyl-2-oxo-1-cyclohexanecarboxylate, NSC 84213

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About This Item

Linear Formula:
CH3C6H8(=O)CO2C2H5
CAS Number:
13537-82-1
Molecular Weight:
184.23
EC Number:
236-910-1
MDL number:
MFCD00001632
UNSPSC Code:
12352100
PubChem Substance ID:
24894521
NACRES:
NA.22

impurities

10% methyl ester

refractive index

n20/D 1.473 (lit.)

bp

128-132 °C/32 mmHg (lit.)

density

1.045 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)C1CCC(C)CC1=O

InChI

1S/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7-8H,3-6H2,1-2H3

InChI key

FFVHHWOJYFCNJP-UHFFFAOYSA-N

Application

Reactant involved in:
  • Hydroxylation / oxidative chlorination with hydrogen peroxide
  • Heterocyclization
  • Cyclization of generated dianions followed by dehydrogenation
  • Palladium-catalyzed isomerization
  • Regioselective cyclizations
  • Vinylogous Michael reactions

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBD5965V
MKBD5965
03122LE
08820KF
05328CA

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