3-Octanone
- CAS No.
- 106-68-3
- Chemical Name:
- 3-Octanone
- Synonyms
- Octan-3-One;ETHYL AMYL KETONE;EAK;FEMA 2803;octan-3-;3-OCTANONE;OCTANONE,3-;Octane-3-on;3-oxooctane;n-Octanone-3
- CBNumber:
- CB7727704
- Molecular Formula:
- C8H16O
- Molecular Weight:
- 128.21
- MDL Number:
- MFCD00009515
- MOL File:
- 106-68-3.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
n |
| FLAVIS Number | 07.062 | Octan-3-one |
| Flash point | 115 °F |
| storage temp. | Flammables area |
| solubility | 2.60g/l |
| form | liquid |
| color | Colorless to Light yellow |
| Odor | fruity odor |
| Odor Type | herbal |
| biological source | synthetic |
| Water Solubility | 0.7 g/L |
| Merck | 14,6753 |
| JECFA Number | 290 |
| 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 |
| 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
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H226 | |||||||||
| Precautionary statements | P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 10-36/37/38-36 | |||||||||
| Safety Statements | 26-36-39-16 | |||||||||
| RIDADR | UN 2271 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | RH1485000 | |||||||||
| Hazard Note | Irritant | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29141900 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Flam. Liq. 3 Skin Irrit. 2 |
|||||||||
| Hazardous Substances Data | 106-68-3(Hazardous Substances Data) | |||||||||
| Toxicity | skn-rbt 500 mg/24H MOD FCTXAV 12,715,74 | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704 |
|
3-Octanone price More Price(39)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | W280305 | 3-Octanone ≥98%, FG | 106-68-3 | 1 each | $58 | 2026-04-30 | Buy |
| Sigma-Aldrich | W280305 | 3-Octanone ≥98%, FG | 106-68-3 | 1kg | $156 | 2026-04-30 | Buy |
| Sigma-Aldrich | W280305 | 3-Octanone ≥98%, FG | 106-68-3 | 8kg | $1180 | 2026-04-30 | Buy |
| Sigma-Aldrich | 46214 | 3-Octanone analytical standard | 106-68-3 | 5ml | $206 | 2026-04-30 | Buy |
| Sigma-Aldrich | 136913 | 3-Octanone ≥98% | 106-68-3 | 25g | $39.6 | 2026-04-30 | Buy |
3-Octanone Chemical Properties, Uses, 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
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| jiliang chemicals | 21-62165282 | bidingchem@163.com | China | 1395 | 60 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Sichuan Kulinan Technology Co., Ltd | 400-1166-196 18981987031 | cdhxsj@163.com | China | 11674 | 57 |
| Tianjin heowns Biochemical Technology Co., Ltd. | 400 638 7771 | sales@heowns.com | China | 14412 | 57 |
| Sinopharm Chemical Reagent Co,Ltd. | 86-21-63210123 | sj_scrc@sinopharm.com | China | 9791 | 79 |
View Latest Price from 3-Octanone manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2020-01-03 | 3-Octanone
106-68-3
|
$1.00 | 1KG | 99% | 10000KGS | Career Henan Chemical Co |
-
- 3-Octanone
106-68-3
- $1.00
- 99%
- Career Henan Chemical Co
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