Name: Methyl 2-oxocyclohexanecarboxylate
Brand: ALDRICH

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About This Item

Empirical Formula (Hill Notation):

C₈H₁₂O₃

CAS Number:

41302-34-5

Molecular Weight:

156.18

Beilstein:

510258

EC Number:

255-306-9

MDL number:

MFCD00077699

UNSPSC Code:

12352100

PubChem Substance ID:

57648338

NACRES:

NA.22

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grade

technical

Quality Level

100

Assay

≥90% (GC)

refractive index

n20/D 1.483

bp

50 °C/0.2 mmHg (lit.)

density

1.10 g/mL at 20 °C (lit.)

SMILES string

COC(=O)C1CCCCC1=O

InChI

1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H3

InChI key

JEENWEAPRWGXSG-UHFFFAOYSA-N

Application

Methyl 2-oxocyclohexanecarboxylate has been used in the synthesis of substituted tetrahydrobenzofuran derivatives via reaction with propargylic esters in the presence of palladium catalyst.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

192.2 °F - closed cup

Flash Point(C)

89 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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