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Cas Database |
| Name |
Ethyl 2-oxohexanoate |
EINECS | 1308068-626-2 |
| CAS No. | 5753-96-8 | Density | 0.981 g/cm3 |
| PSA | 43.37000 | LogP | 1.30880 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H14O3 | Boiling Point | 211.725 °C at 760 mmHg |
| Molecular Weight | 158.197 | Flash Point | 81 ºC |
| Transport Information | N/A | Appearance | Light yellow liquid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Oxohexanoicacid ethyl ester;Hexanoic acid, 2-oxo-,ethyl ester;Ethyl a-ketocaproate; |
Article Data | 34 |
Ethyl 2-oxohexanoate Synthetic route
- 52089-55-1
2-hydroxyhexanoic acid ethyl ester
- 5753-96-8
ethyl 2-oxohexanoate
| Conditions | Yield |
|---|---|
| With oxalyl dichloride; dimethyl sulfoxide In dichloromethane at -60℃; under 15 Torr; Swern oxidation; | 100% |
| With hydrogenchloride; sodium hypobromide In dichloromethane; water at 25℃; for 5h; | 93% |
| With sodium bromide In dichloromethane; water Ambient temperature; anodic oxidation; | 80% |
| With Dess-Martin periodane In dichloromethane for 1.33333h; | 67% |
| With chromium(VI) oxide; acetic acid |
| Conditions | Yield |
|---|---|
| at -78℃; | 96% |
- 97391-34-9
ethyl 2-butyl-3-(N,N-dimethylamino)propenoate
- 5753-96-8
ethyl 2-oxohexanoate
| Conditions | Yield |
|---|---|
| With bisacenaphthalenethiophene; oxygen In dichloromethane at -78℃; for 0.5h; Irradiation; | 92% |
- 693-03-8
n-butyl magnesium bromide
- 220332-87-6
ethyl 3,5-dimethyl-1-pyrazolylglyoxylate
- 5753-96-8
ethyl 2-oxohexanoate
| Conditions | Yield |
|---|---|
| In diethyl ether at -90℃; for 1h; | 90% |
- 103999-88-8
ethyl 2-azidohexanoate
- 5753-96-8
ethyl 2-oxohexanoate
| Conditions | Yield |
|---|---|
| With lithium ethoxide In tetrahydrofuran; ethanol | 84% |
- 32557-27-0
ethyl 2-butyl-1,3-dithiane-2-carboxylate
- 5753-96-8
ethyl 2-oxohexanoate
| Conditions | Yield |
|---|---|
| With pyridine; pyridinium hydrobromide perbromide complex; tetrabutylammomium bromide In dichloromethane-d2; water for 2h; Product distribution; Ambient temperature; var. reagents and solvents; other thioketals of ketoesters, ketoacids and ketoaldehydes; | 81% |
- 1889-20-9
n-butylmagnesium iodide
- 220332-87-6
ethyl 3,5-dimethyl-1-pyrazolylglyoxylate
- 5753-96-8
ethyl 2-oxohexanoate
| Conditions | Yield |
|---|---|
| In diethyl ether at -90℃; for 1h; | 70% |
- 309295-48-5
ethyl 2-chloro-2-phenylselanylhexanoate
- 5753-96-8
ethyl 2-oxohexanoate
| Conditions | Yield |
|---|---|
| With mercury(II) diacetate In water; acetone at 20℃; for 1h; Hydrolysis; | 67% |
- 109-72-8, 29786-93-4
n-butyllithium
- 139507-52-1
monoethoxyoxalic acid N-methoxy-N-methylamide
A
- 5753-96-8
ethyl 2-oxohexanoate
B
- 141694-32-8
N-Methoxy-N-methyl-α-oxohexaneamide
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran at -78℃; | A 8% B 58% |
| Conditions | Yield |
|---|---|
| Stage #1: n-butylzinc bromide With copper(l) iodide In tetrahydrofuran at -25 - 0℃; for 0.333333h; Stage #2: Ethyl oxalyl chloride In tetrahydrofuran at -25℃; for 3h; | 37% |
Ethyl 2-oxohexanoate Chemical Properties
Molecule structure of Ethyl 2-oxohexanoate (CAS NO.5753-96-8):
Molecular Weight: 158.20 g/mol
Molecular Formula: C8H14O3
Density: 0.981 g/cm3
Boiling Point: 211.725 °C at 760 mmHg
Flash Point: 81.288 °C
Index of Refraction: 1.421
Molar Refractivity: 40.916 cm3
Molar Volume: 161.191 cm3
Polarizability: 16.22×10-24 cm3
Surface Tension: 30.961 dyne/cm
Enthalpy of Vaporization: 44.802 kJ/mol
Vapour Pressure: 0.18 mmHg at 25 °C
InChI: InChI=1/C8H14O3/c1-3-5-6-7(9)8(10)11-4-2/h3-6H2,1-2H3 Copy
InChIKey: WRQGPGZATPOHHX-UHFFFAOYAH
Product Categories of Ethyl 2-oxohexanoate (CAS NO.5753-96-8): API
Ethyl 2-oxohexanoate Specification
Ethyl 2-oxohexanoate (CAS NO.5753-96-8) is also named as 2-oxohexanoic acid ethyl ester;ethyl alpha-ketocaproate ; 2-Ketocaproic acid ethyl ester ; 2-Oxyhexanoic acid ethyl ester .
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