2-Octanone
Synonym(s):Hexyl methyl ketone
- CAS NO.:111-13-7
- Empirical Formula: C8H16O
- Molecular Weight: 128.21
- MDL number: MFCD00009540
- EINECS: 203-837-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-14 11:59:30
What is 2-Octanone?
Description
2-Octanone has a floral and bitter, green, fruity (unripe apple) odor with a bitter camphoraceous taste. May be synthesized by the oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330 - 340°C.
Chemical properties
Colorless liquid; pleasant odor; cam-phor taste. Insoluble in water; solublein alcohol, hydrocarbons, ether, esters, etc. Com-bustible.
Chemical properties
2-Octanone has a floral and bitter, green, fruity (unripe apple) odor and bitter, camphoraceous taste.
Occurrence
Reported found in apple, apricot, banana, cranberry, grape, raisin, papaya, peach, raspberry, strawberry, leek, peas, clove, wheat bread, many cheeses, butter, milk, cooked egg, yogurt, caviar, fatty fish, meats, beer, hop oil beer, cognac, rum, grape wines, cocoa, coffee, tea, roasted filberts and peanuts, pecans, potato chips, oats, soybean, olive, beans, walnut, trassi, mushroom, fig, rice, buckwheat, quince, sweet corn, corn oil, malt, wort, krill, Bourbon vanilla, mountain papaya, shrimp, crab, crayfish, clam, truffle, maté and mastic gum oil.
The Uses of 2-Octanone
2-Octanone is used in perfumes, high-boiling solvent, especially for epoxy resin coatings and in leather finishes. It is used in flavoring, odorant. It can act as antiblushing agent for nitrocellulose lacquers.
The Uses of 2-Octanone
Perfumes, high-boiling solvent, especiallyfor epoxy resin coatings, leather finishes, flavor-ing, odorant, antiblushing agent for nitrocelluloselacquers.
The Uses of 2-Octanone
2-Octanone may be used as an analytical reference standard for the quantification of the analyte in sugar-cane spirits and rum samples and whey protein concentrate using chromatography based techniques.
Definition
ChEBI: A methyl ketone that is octane substituted by an oxo group at position 2.
Preparation
By oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330 to 340°C.
Production Methods
2-Octanone can be produced by oxidation of methyl hexyl carbinol, 2-octanol, or 1-octene or by reductive condensation of acetone with pentanol. Commercial samples can have a purity of 98%.
Aroma threshold values
Detection: 41 to 62 ppb
Taste threshold values
Taste characteristics at 10 ppm: dairy, waxy, cheese, woody, mushroom and yeast.
Synthesis Reference(s)
The Journal of Organic Chemistry, 56, p. 5924, 1991 DOI: 10.1021/jo00020a040
Tetrahedron Letters, 26, p. 2107, 1985 DOI: 10.1016/S0040-4039(00)94791-9
General Description
2-Octanone is a volatile flavor compound reported to be found in blue cheese, acerola fruit, blue crab and cray fish.
Industrial uses
Methyl n-hexyl ketone is used as solvent for vinyl compounds and dyes and is suitable for dispersing dyes in light-weight petroleum oils for newsprint inks.
Safety Profile
Poison by ingestion. Moderately toxic by intraperitoned route. A sktn irritant. Flammable liquid when exposed to heat, flame, or oxidizers. To fight fire, use foam, alcohol foam. When heated to decomposition it emits acrid smoke and irritating fumes. See also ETHER and KETONES.
Properties of 2-Octanone
Melting point: | -16 °C |
Boiling point: | 173 °C(lit.) |
Density | 0.819 g/mL at 25 °C(lit.) |
vapor pressure | 1.8-2.614hPa at 20-25℃ |
refractive index | n |
FEMA | 2802 | 2-OCTANONE |
Flash point: | 133 °F |
storage temp. | Sealed in dry,2-8°C |
solubility | 0.9g/l |
form | Liquid |
color | Clear colorless to very slightly yellow |
Odor | at 10.00 % in dipropylene glycol. earthy weedy natural woody herbal |
Water Solubility | 0.9 g/L |
JECFA Number | 288 |
Merck | 14,4711 |
BRN | 635843 |
Dielectric constant | 7.4(100℃) |
Stability: | Stable. Incompatible with strong oxidizing agents. Flammable. |
CAS DataBase Reference | 111-13-7(CAS DataBase Reference) |
NIST Chemistry Reference | 2-Octanone(111-13-7) |
EPA Substance Registry System | 2-Octanone (111-13-7) |
Safety information for 2-Octanone
Signal word | Warning |
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H312:Acute toxicity,dermal |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 2-Octanone
Abamectin manufacturer
ASM Organics
New Products
4-Aminotetrahydropyran-4-carbonitrile Hydrochloride (R)-3-Aminobutanenitrile Hydrochloride 4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile 3-((Dimethylamino)methyl)-5-methylhexan-2-one oxalate 1,4-Dioxa-8-azaspiro[4.5]decane 5-Bromo-2-nitropyridine Nimesulide BP Aceclofenac IP/BP/EP Diclofenac Sodium IP/BP/EP/USP Mefenamic Acid IP/BP/EP/USP Ornidazole IP Diclofenac Potassium SODIUM AAS SOLUTION ZINC AAS SOLUTION BUFFER SOLUTION PH 10.0(BORATE) GOOCH CRUCIBLE SINTERED AQUANIL 5 BERYLLIUM AAS SOLUTION 2-Bromo-1-(bromomethyl)-3-chloro-5-nitrobenzene 2-Bromo-3-nitroaniline N-(3-Hydroxypropyl)-N-methylacetamide 3-Bromo-6-chloropyridazine 4-ethyl-3-nitrobenzoic acidRelated products of tetrahydrofuran
You may like
-
111-13-7 2-OCTANONE 98%View Details
111-13-7 -
111-13-7 99%View Details
111-13-7 -
Methyl Hexyl Ketone 111-13-7 99%View Details
111-13-7 -
2-Octanone CAS 111-13-7View Details
111-13-7 -
2-Octanone CAS 111-13-7View Details
111-13-7 -
Octan-2-one 99% (GC) CAS 111-13-7View Details
111-13-7 -
Octan-2-one 95% CAS 111-13-7View Details
111-13-7 -
Lithium ClavulanateView Details
61177-44-4