ChemicalBook > CAS DataBase List > 3-Octanone

3-Octanone

Product Name
3-Octanone
CAS No.
106-68-3
Chemical Name
3-Octanone
Synonyms
Octan-3-One;ETHYL AMYL KETONE;EAK;octan-3-;FEMA 2803;3-OCTANONE;OCTANONE,3-;Octane-3-on;3-oxooctane;n-Octanone-3
CBNumber
CB7727704
Molecular Formula
C8H16O
Formula Weight
128.21
MOL File
106-68-3.mol
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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
color 
Colorless to Light yellow
Odor
fruity odor
Odor Type
herbal
Water Solubility 
0.7 g/L
JECFA Number
290
Merck 
14,6753
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)
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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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P243Take precautionary measures against static discharge.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W280320
Product name
3-Octanone
Purity
natural (US), ≥97%, FG
Packaging
SAMPLE-K
Price
$74.6
Updated
2024/03/01
Sigma-Aldrich
Product number
W280320
Product name
3-Octanone
Purity
natural (US), ≥97%, FG
Packaging
100G
Price
$226
Updated
2024/03/01
Sigma-Aldrich
Product number
W280320
Product name
3-Octanone
Purity
natural (US), ≥97%, FG
Packaging
1KG
Price
$1540
Updated
2024/03/01
Sigma-Aldrich
Product number
W280305
Product name
3-Octanone
Purity
≥98%, FG
Packaging
1kg
Price
$146
Updated
2024/03/01
Sigma-Aldrich
Product number
W280305
Product name
3-Octanone
Purity
≥98%, FG
Packaging
8kg
Price
$1150
Updated
2024/03/01
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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.

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

Raw materials

Preparation Products

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3-Octanone Suppliers

McCann Chemicals Limited
Tel
--
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info@mccannchemicals.com
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United Kingdom
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Alcohols Limited
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sales@alcohols.co.uk
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United Kingdom
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Augustus Oils Ltd.
Tel
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sales@augustus-oils.ltd.uk
Country
United Kingdom
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R. C. Treatt & Co. Ltd.
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uiries@treatt.com
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Apollo Scientific Ltd.
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sales@apolloscientific.co.uk
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United Kingdom
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LGC Standards
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askus@lgcstandards.com
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Leancare Ltd.
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enquiry@leancare.co.uk
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United Kingdom
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6446
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MOLEKULA Ltd.
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kevinbanks@molekula.com
Country
United Kingdom
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Huntsman Tioxide
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south_africa_support_centre@huntsman.com
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VWR International
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solutions@vwr.com
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6548
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View Lastest Price from 3-Octanone manufacturers

Hebei Mojin Biotechnology Co., Ltd
Product
3-Octanone 106-68-3
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-11-13
Career Henan Chemical Co
Product
3-Octanone 106-68-3
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000KGS
Release date
2020-01-02

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