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Merck
CN

320625

Ethyl 4-oxocyclohexanecarboxylate

97%

Synonym(s):

4-(Ethoxycarbonyl)cyclohexanone, Ethyl cyclohexanone-4-carboxylate

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About This Item

Linear Formula:
(O=)C6H9CO2C2H5
CAS Number:
17159-79-4
Molecular Weight:
170.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24859275
MDL number:
MFCD00013285
Beilstein/REAXYS Number:
2520501

Key Documents

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Product Name

Ethyl 4-oxocyclohexanecarboxylate, 97%

InChI

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

SMILES string

CCOC(=O)C1CCC(=O)CC1

InChI key

ZXYAWONOWHSQRU-UHFFFAOYSA-N

assay

97%

form

liquid

refractive index

n20/D 1.461 (lit.)

bp

150-152 °C/40 mmHg (lit.)

density

1.068 g/mL at 25 °C (lit.)

functional group

ester
ketone

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Application

Employed in the preparation of dopamine agonists and the skeleton of tetracyclic diterpenes.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBR7039V
STBC7862V
STBB4332V
STBB4332
S76674

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Tetrahedron Letters, 35, 417-417 (1994)
Tetrahedron Letters, 35, 417-417 (1994)
Bioorganic & Medicinal Chemistry Letters, 3, 639-639 (1993)

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