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3-Octanone

CAS No.106-68-3
Chemical Name:3-Octanone
CBNumber:CB7727704
Molecular Formula:C8H16O
Formula Weight:128.21
MOL File:106-68-3.mol

3-Octanone Property

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℃
refractive index n20/D 1.415(lit.)
FEMA 2803 | 3-OCTANONE
Flash point 115 °F
storage temp. Flammables area
solubility 2.60g/l
form liquid
color Colorless to Light yellow
Odor fruity odor
biological source synthetic
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)
Substances Added to Food (formerly EAFUS) 3-OCTANONE
FDA UNII 79173B4107
NIST Chemistry Reference 3-Octanone(106-68-3)
EPA Substance Registry System Ethyl amyl ketone (106-68-3)
UNSPSC Code 41116107
NACRES NA.24

Safety

Hazard Codes :Xi
Risk Statements :10-36/37/38-36
Safety Statements :26-36-39-16
RIDADR :UN 2271 3/PG 3
WGK Germany :1
RTECS :RH1485000
Hazard Note :Irritant
TSCA :Yes
HazardClass :3
PackingGroup :III
HS Code :29141900
Hazardous Substances Data :106-68-3(Hazardous Substances Data)
Toxicity :skn-rbt 500 mg/24H MOD FCTXAV 12,715,74

NFPA 704:

	3
1		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H226
Precautionary statements P210-P233-P240-P241-P242-P243

3-Octanone Price More Price(10)

Brand: Sigma-Aldrich(India)
Product number: W280305
Product name : 3-Octanone
Purity: ≥98%, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W280320
Product name : 3-Octanone
Purity: natural (US), ≥97%, FG
Packaging: 1SAMPLE-K
Price: ₹6235.2
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Brand: Sigma-Aldrich(India)
Product number: W280305
Product name : 3-Octanone
Purity: ≥98%, FG
Packaging: 1KG
Price: ₹29086.78
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 46214
Product name : 3-Octanone
Purity: analytical standard
Packaging: 5ML
Price: ₹14050.85
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Brand: Sigma-Aldrich
Product number: 136913
Product name : 3-Octanone
Purity: ≥98%
Packaging: 25G
Price: ₹1948.5
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3-Octanone Chemical Properties,Usage,Production

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.
Preparation By heating propionic and caproic acids over thorium oxide or by oxidation of ethyl amyl carbinol (3-octanol) (Arctander, 1969).
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.
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.