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Ethyl 2-oxocyclopentanecarboxylate

Ethyl 2-oxocyclopentanecarboxylate structure

CAS No:
611-10-9
Formula:
C8H12O3
Chemical Name:
Ethyl 2-oxocyclopentanecarboxylate
Synonyms:
Cyclopentanecarboxylic acid,2-oxo-,ethyl ester;2-Carbethoxycyclopentanone;Ethyl 2-cyclopentanonecarboxylate;2-Carbethoxy-1-cyclopentanone;2-Cyclopentanonecarboxylic acid ethyl ester;α-(Carboethoxy)cyclopentanone;2-(Ethoxycarbonyl)cyclopentanone;Ethyl 2-oxo-1-cyclopentanecarboxylate;Ethyl 2-cyclopentanone-1-carboxylate;Ethyl 2-oxocyclopentanecarboxylate;Ethyl 1-oxocyclopentane-2-carboxylate;2-Oxocyclopentanecarboxylic acid ethyl ester;Ethyl 2-oxocyclopentanoate;2-(Ethoxycarbonyl)-1-cyclopentanone;(±)-2-Oxocyclopentanecarboxylic acid ethyl ester;Ethyl (±)-2-oxocyclopentanecarboxylate;1-Oxocyclopentane-2-carboxylic acid ethyl ester;NSC 22055;NSC 5658;2-Oxocyclopentane-1-carboxylic acid ethyl ester;Ethyl 2-oxocyclopentylcarboxylate;53229-92-8
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

clear colourless to pale yellow liquid

Ethyl 2-oxocyclopentanecarboxylate Basic Attributes

Molecular Weight：

156.18

Exact Mass：

156.18

BRN：

387787

EC Number：

210-253-0

NSC Number：

22055|5658

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

0.9

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.0800 g/cm³ @ Temp: 20 °C

Boiling Point：

221 °C

Flash Point：

172 °F

Refractive Index：

1.469

Water Solubility：

H2O: insoluble

Storage Conditions：

2-8°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-24/25-36/37-26

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ethyl 2-oxocyclopentanecarboxylate

Ethyl 2-oxocyclopentanecarboxylate Use and Manufacturing

Methods of Manufacturing

The product is obtained by cyclization of diethyl adipate in toluene in the presence of sodium. The reaction temperature is 100-115°C, the reaction time is 5h, and the yield is 74-81%.

Uses

Medicinal synthesis, organic synthesis intermediates, can be used to synthesize fragrances, or loxosol.

Computed Properties

Molecular Weight:156.18
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:156.078644241
Monoisotopic Mass:156.078644241
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:174
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 611-10-9

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Latest News on Ethyl 2-oxocyclopentanecarboxylate

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Guide of Ethyl 2-oxocyclopentanecarboxylate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Ethyl 2-oxocyclopentanecarboxylate

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