| | 3-Octanone Basic information |
| Product Name: | 3-Octanone | | Synonyms: | AMYL-ETHYL KETONE;3-OCTANONE;OCTANONE,3-;N-AMYL ETHYL KETONE;n-Amyl ethyl ketone~Ethyl n-pentyl ketone;3-OCTANONE, 98+%;3-OCTANONE OEKANAL;octanone,3-octanone | | CAS: | 106-68-3 | | MF: | C8H16O | | MW: | 128.21 | | EINECS: | 203-423-0 | | Product Categories: | ketone | | Mol File: | 106-68-3.mol |  |
| | 3-Octanone Chemical Properties |
| Melting point | -23 °C | | Boiling point | 167-168 °C (lit.) | | density | 0.822 g/mL at 25 °C (lit.) | | vapor pressure | 2.67hPa at 20℃ | | FEMA | 2803 | 3-OCTANONE | | refractive index | n20/D 1.415(lit.) | | Fp | 115 °F | | storage temp. | Flammables area | | solubility | 2.60g/l | | form | neat | | color | Colorless to Light yellow | | Odor | fruity odor | | Odor Type | herbal | | Water Solubility | 0.7 g/L | | Merck | 14,6753 | | JECFA Number | 290 | | BRN | 1700021 | | LogP | 2.9 at 32℃ and pH7 | | CAS DataBase Reference | 106-68-3(CAS DataBase Reference) | | NIST Chemistry Reference | 3-Octanone(106-68-3) | | EPA Substance Registry System | Ethyl amyl ketone (106-68-3) |
| | 3-Octanone Usage And Synthesis |
| Description | 3-Octanone has a strong, penetrating, fruity odor reminiscent of
lavender. It can be prepared by passing a mixture of vapors of
caproic 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. | | Chemical Properties | 3-Octanone has a strong, penetrating, fruity odor reminiscent of lavender. | | Chemical Properties | CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID | | Occurrence | Reported identified in the low-boiling fraction of the essential oil of lavender; also reported found in the
essential oils of Lavandula vera (10%) and French lavender. Reported found in banana, bilberry, currants, guava, melon, blueberry,
blackberry, strawberry jam, peas, fried potato, ginger, Mentha oils, thyme, cheeses, butter, fish, cooked meats, cognac, coffee, tea,
roasted peanuts, pecan, soybean, olive, plum, beans, mushroom, wild marjoram, trassi, rice bran, litchi, calamus, buckwheat, rosemary,
lemon balm, clary sage, rosemary, truffle, nectarine, anise hyssop and maté. | | Uses | 3-Octanone can be produced by oxidation of 3-octanol or by
heating propionic acid and caproic acid over thorium oxide.
3-Octanone is used as an ingredient in soaps, perfumes,
lotions, and creams. It is also used as a flavoring agent in
foods. U.S. production and importation of 3-octanone was
estimated to be relatively low (,25,000 lb at a single site) in
2005 as data for 3-octanone were not included in the 2006
U.S. EPA Inventory Update Reporting database. | | Uses | Perfumery, solvent for nitrocellulose and vinyl
resins. | | Uses | 3-Octanone was used to study the effect of TiO2 photo catalyst on the rate and the ratio of products generated in photo catalytic oxidation of 3-octanone. It is used as a flavor and fragrance ingredient. | | Definition | ChEBI: 3-octanone is a dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group. It has a role as a human urinary metabolite, an insect attractant, a fungal metabolite, an antifeedant, a plant metabolite and a biomarker. It derives from a hydride of an octane. | | Preparation | By heating propionic and caproic acids over thorium oxide or by oxidation of ethyl amyl carbinol (3-octanol) (Arctander, 1969). | | 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. | | Synthesis Reference(s) | Journal of the American Chemical Society, 97, p. 6863, 1975 DOI: 10.1021/ja00856a044
The Journal of Organic Chemistry, 32, p. 2356, 1967 DOI: 10.1021/jo01282a605 | | 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. | | 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. |
| | 3-Octanone Preparation Products And Raw materials |
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