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Ethyl 4-methyl-2-oxocyclohexanecarboxylate

Ethyl 4-methyl-2-oxocyclohexanecarboxylate structure

CAS No:
13537-82-1
Formula:
C10H16O3
Chemical Name:
Ethyl 4-methyl-2-oxocyclohexanecarboxylate
Synonyms:
Cyclohexanecarboxylic acid,4-methyl-2-oxo-,ethyl ester;Ethyl 4-methyl-2-oxocyclohexanecarboxylate;2-Carbethoxy-5-methylcyclohexanone;2-Ethoxycarbonyl-5-methylcyclohexanone;Ethyl 4-methyl-2-cyclohexanone-1-carboxylate;5-Methyl-2-carbethoxycyclohexanone;5-Methyl-2-ethoxycarbonylcyclohexanone;Ethyl 4-methyl-2-oxocyclohexane-1-carboxylate;4-Methyl-2-oxocyclohexanecarboxylic acid ethyl ester;NSC 84213

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Ethyl 4-methyl-2-oxocyclohexanecarboxylate Basic Attributes

Molecular Weight：

184.23

Exact Mass：

184.23

EC Number：

236-910-1

NSC Number：

84213

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

1.55480

Density：

1.040 g/cm³ @ Temp: 20 °C

Melting Point：

53-54 °C

Boiling Point：

113 °C @ Press: 12 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.473(lit.)

Vapor Pressure：

0.0652mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Ethyl 4-methyl-2-oxocyclohexanecarboxylate Use and Manufacturing

Reactant involved in:• ;Hydroxylation / oxidative chlorination with hydrogen peroxide1• ;Heterocyclization2• ;Cyclization of generated dianions followed by dehydrogenation3• ;Palladium-catalyzed isomerization4• ;Regioselective cyclizations5• ;Vinylogous Michael reactions6

Computed Properties

Molecular Weight:184.23
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:184.109944368
Monoisotopic Mass:184.109944368
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Complexity:210
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 4-methyl-2-oxocyclohexanecarboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Ethyl 4-methyl-2-oxocyclohexanecarboxylate

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