| Identification | More | [Name]
3-Octanone | [CAS]
106-68-3 | [Synonyms]
3-OCTANONE
AMYL-ETHYL KETONE
EAK
ETHYL AMYL KETONE
ETHYL N-AMYL KETONE
ETHYL PENTYL KETONE
FEMA 2803
N-AMYL ETHYL KETONE
OCTANONE,3-
3-oxooctane
Ethyl n-pentyl ketone
ethyln-pentylketone
n-Octanone-3
octan-3-
Octan-3-One
n-Amyl ethyl ketone~Ethyl n-pentyl ketone
3-OCTANONE, 98+%
3-OCTANONE OEKANAL
octanone,3-octanone
OCTANONE,3-(SG) | [EINECS(EC#)]
203-423-0 | [Molecular Formula]
C8H16O | [MDL Number]
MFCD00009515 | [Molecular Weight]
128.21 | [MOL File]
106-68-3.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID | [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 | [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 | [biological source]
synthetic | [Odor Type]
herbal | [Water Solubility ]
0.7 g/L | [JECFA Number]
290 | [Merck ]
14,6084 | [BRN ]
1700021 | [Henry's Law Constant]
4.3×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 | [InChIKey]
RHLVCLIPMVJYKS-UHFFFAOYSA-N | [SMILES]
CCCCCC(=O)CC | [LogP]
2.9 at 32℃ and pH7 | [Uses]
Perfumery, solvent for nitrocellulose and vinyl
resins. | [CAS DataBase Reference]
106-68-3(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Octanone(106-68-3) | [EPA Substance Registry System]
106-68-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226 | [Precautionary statements ]
P210-P233-P240-P241-P242-P243 | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S39:Wear eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 2271 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
RH1485000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29141900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3
Skin Irrit. 2 | [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. | [Hazardous Substances Data]
106-68-3(Hazardous Substances Data) | [Toxicity]
skn-rbt 500 mg/24H MOD FCTXAV 12,715,74 |
| Hazard Information | Back Directory | [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. | [Reactivity Profile]
Ketones, such as ETHYL AMYL KETONE(106-68-3), 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. | [Air & Water Reactions]
Flammable. Insoluble in water. | [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. | [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. | [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 | [Biochem/physiol Actions]
Taste at 10 ppm | [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. |
|
| Company Name: |
Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
jiliang chemicals
|
| Telephone: |
21-62165282 |
| Website: |
http://www.jiliangchem.com |
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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