Organic Chemicals
Product classification
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Cost-effective and customizable 3-Octanone 106-68-3 for sale
- Molecular Formula: C8H16O
- Molecular Weight: 128.214
- Appearance/Colour: Clear colourless to slightly yellow liquid
- Vapor Pressure: 1.5mmHg at 25°C
- Melting Point: -23 °C
- Refractive Index: n20/D 1.415(lit.)
- Boiling Point: 169.9 °C at 760 mmHg
- Flash Point: 46.1 °C
- PSA： 17.07000
- Density: 0.812 g/cm3
- LogP: 2.54580
3-Octanone(Cas 106-68-3) Usage
|
Preparation |
By heating propionic and caproic acids over thorium oxide or by oxidation of ethyl amyl carbinol (3-octanol) (Arctander, 1969). |
|
Synthesis Reference(s) |
Journal of the American Chemical Society, 97, p. 6863, 1975 DOI: 10.1021/ja00856a044The Journal of Organic Chemistry, 32, p. 2356, 1967 DOI: 10.1021/jo01282a605 |
|
Air & Water Reactions |
Flammable. Insoluble in water. |
|
Reactivity Profile |
Ketones, such as 3-Octanone, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. |
|
Hazard |
Narcotic in high concentration. Moderate fire risk. |
|
Health Hazard |
May be harmful by inhalation, ingestion or skin absorption. Vapor or mist is irritating to eyes, mucous membrane and upper respiratory tract. Causes skin irritation. |
|
Fire Hazard |
Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. |
|
Biochem/physiol Actions |
Taste at 10 ppm |
|
Safety Profile |
Poison by intraperitoneal route. Moderately irritating to skin, eyes, and mucous membranes by inhalation. Narcotic in high concentration. Flammable liquid when exposed to heat, sparks, flame, or oxidizers. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke. See also KETONES. |
|
Synthesis |
It can be prepared by passing a mixture of vapors of caprioc acid and acetic acid over ThO2 at 400°C, or by oxidation of d-ethyl n-amyl carbinol with chromates; another synthetic route is reported. |
|
Aroma threshold values |
Detection: 21 to 50 ppb |
|
Taste threshold values |
Taste characteristics at 10 ppm: mushroom, ketonic, cheesy and moldy with a fruity nuance. |
|
General Description |
A clear colorless liquid with a pungent odor. Insoluble in water and partially soluble in alcohol. Flash point of 138°F. Vapors are denser than air and may have a narcotic effect in high concentrations. Used in making perfumes and as a solvent for nitrocellulose and vinyl resins. |
InChI:InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
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106-68-3 Process route
-
-
13389-42-9
trans-2-Octene
-
-
3234-26-2
2,3-epoxyoctane
-
-
106-68-3
3-octanone
-
-
589-98-0
rac-3-octanol
| Conditions | Yield |
|---|---|
|
With
iodosylbenzene;
In
dichloromethane;
at 20 ℃;
for 12h;
Reagent/catalyst;
Sealed tube;
Inert atmosphere;
|
-
-
111-65-9
octane
-
-
111-87-5
octanol
-
-
106-68-3
3-octanone
-
-
589-63-9
octan-4-one
-
-
589-62-8
octan-4-ol
-
-
589-98-0
rac-3-octanol
-
-
4128-31-8,113301-48-7,4128-32-9
rac-octan-2-ol
-
-
124-07-2
Octanoic acid
-
-
111-13-7
hexyl-methyl-ketone
| Conditions | Yield |
|---|---|
|
With
tert.-butylhydroperoxide; C33H39Cl2CoNP2;
In
acetonitrile;
at 80 ℃;
Reagent/catalyst;
regioselective reaction;
Catalytic behavior;
Inert atmosphere;
|
|
|
With
tert.-butylhydroperoxide; C24H30Cl2N6Ni;
In
water; acetonitrile;
at 80 ℃;
for 12h;
|
|
|
With
copper[bis(cyclohexylthioethyl)methylamine]; dihydrogen peroxide;
In
acetonitrile;
at 50 ℃;
for 1h;
under 760.051 Torr;
Reagent/catalyst;
Overall yield = 36 %;
|
|
|
With
tert.-butylhydroperoxide; [[Ph2PN(cyclohexyl)PPh2]Ir(η5-pentamethylcyclopentadienyl)(Cl)]PF6;
In
1,2-dichloro-ethane;
at 80 ℃;
Reagent/catalyst;
Catalytic behavior;
|
|
|
With
dihydrogen peroxide; dichlorido[bis(butylthioethyl)phenylamine]copper(II);
In
water; acetonitrile;
at 50 ℃;
for 1h;
Reagent/catalyst;
Time;
Overall yield = 55 percent;
Catalytic behavior;
|
106-68-3 Upstream products
-
2809-67-8
oct-2-yne
-
116549-39-4
3-octanone dimethyl acetal
-
589-98-0
rac-3-octanol
-
137-40-6
sodium proprionate
106-68-3 Downstream products
-
91635-39-1
5-Aethyl-5-hydroxy-decan
-
7207-50-3
oxime of 3-octanone
-
589-98-0
rac-3-octanol
-
585-25-1
octane-2,3-dione
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