2-octanone

methyl hexyl ketone

CAS: 111-13-7 C8 H16 O MW: 128.21472000 earthy dairy

Identification

Name2-octanone
IUPACoctan-2-one
CAS Number111-13-7
EINECS203-837-1
FDA UNIIJ2G84H29AF
Molecular FormulaC8 H16 O
Molecular Weight128.21472000
MDL NumberMFCD00009540
Nikkaji NumberJ1.984D
Beilstein0635843
CoE Number153
XlogP32.40 (est)

Regulatory

JECFA Food Flavoring288 2-octanone
DG SANTE Food Flavourings07.019 octan-2-one
FEMA Number2802
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)111-13-7 ; 2-OCTANONE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed Yes
Specific Gravity 0.81500 to 0.81700 @ 25.00 °C.
Pounds per Gallon - (est). 6.782 to 6.798
Refractive Index 1.41400 to 1.41700 @ 20.00 °C.
Melting Point -16.00 to -15.00 °C. @ 760.00 mm Hg
Boiling Point 173.00 to 175.00 °C. @ 760.00 mm Hg, 94.00 to 95.00 °C. @ 50.00 mm Hg
Acid Value 1.00 max. KOH/g
Vapor Pressure 1.725000 mmHg @ 25.00 °C. (est)
Vapor Density 4.4 ( Air = 1 )
Flash Point 145.00 °F. TCC ( 62.78 °C. )
logP (o/w) 2.370
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium ,
Substantivity > 4 hour(s) at 100.00 %
Odor Description
at 10.00 % in dipropylene glycol.
Musty, ketonic, bleu and parmesan cheese-like with earthy and dairy nuances
sweet, earthy, weedy, 'natural'
floral, green, herbaceous, fruity
sweet earthy weedy natural woody herbal green fruity wine floral green herbaceous fruity
Musty, ketonic, bleu and parmesan cheese-like with earthy and dairy nuances
Taste Description
at 10.00 ppm.
Ketonic, fermented notes
cheesy, sharp, ketonic (waxy note)
Intense blue cheese, fruity, mushroom and green notes

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Human Experience4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 > 5000 mg/kg
Dermal Toxicityskin-rabbit LD50 1337 mg/kg
Inhalation Toxicityinhalation-rat LC50 2132 ppm/6hours

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 2-octanone usage levels up to4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)93.00 (μg/capita/day)
baked goods0.40000
beverages(nonalcoholic)0.10000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy0.20000
fruit ices0.20000
gelatins / puddings-
granulated sugar-
gravies-
hard candy0.40000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Firmenich Inc.

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Global Essence Inc.

Preferred Partner

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Indukern, S.A. F&F Ingredients Division

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Lluch Essence S.L.

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M&U International LLC

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Moellhausen S.P.A.

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PerfumersWorld Ltd.

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Synerzine, Inc.

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The John D. Walsh Company, Inc

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The Lermond Company

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Potential Uses

FR apple FR apricot FR banana FL beer FL/FR caraway seed FL cheese blue cheese FL cheese cheddar cheese FR citrus FR coconut FR fern FR floral FR fungus FR hay new mown hay FR lavender FR lilac FL milk FR peach FR plum FR reseda

Natural Occurrence

banana fruit beer PMC butter PMC carrot seed cayenne fruit clove bud clove fruit cocoa coffee PMC corn husk oil corn seed oil lavandin oil china @ 1.18% Data lovage root mushroom PMC osmanthus absolute @ trace% Data peanut roasted peanut potato chip PMC rue flower oil colombia @ 0.18% Data rue oil china @ 0.24% Data rue plant tea leaf yogurt

Synonyms

hexyl methyl ketone N- hexyl methyl ketone ketone, hexyl methyl laventerre methyl hexyl cetone methyl hexyl ketone methyl hexyl ketone 90 methyl hexyl ketone, natural methyl N-hexyl ketone octan-2-one 2-oxo octane octane-2-one 2- octanon 2- octanone 2- octanone natural US Patents: 3,952,024 - Furfurylthioacetone PubMed: Binding of carbonyl flavours to canola, pea and wheat proteins using GC/MS approach. US Patents: 3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines PubMed: Communication: Coordination structure of bromide ions associated with hexyltrimethylammonium cations at liquid/liquid interfaces under potentiostatic control as studied by total-reflection X-ray absorption fine structure. PubMed: Olfactory Sensitivity and Odor Structure-Activity Relationships for Aliphatic Ketones in CD-1 Mice. PubMed: Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose. PubMed: Brushed block copolymer micelles with pH-sensitive pendant groups for controlled drug delivery. PubMed: Mass and Ion Transport in Ketones and Ketone Electrolytes: Comparison with Acetate Systems. PubMed: Formation yields of C8 1,4-hydroxycarbonyls from OH + n-octane in the presence of NO. PubMed: Brain phospholipase C, diacylglycerol lipase and monoacylglycerol lipase are involved in (±)-epibatidine-induced activation of central adrenomedullary outflow in rats. PubMed: Analysis of quinolones by voltage-assisted liquid-phase microextraction combined with LC-MS. PubMed: Fragrance material review on methyl hexyl oxo cyclopentanone carboxylate. PubMed: Color, lipid oxidation, sensory quality, and aroma compounds of beef steaks displayed under different levels of oxygen in a modified atmosphere package. PubMed: Electromembrane extraction of peptides--fundamental studies on the supported liquid membrane. PubMed: Evaluation of parallel milliliter-scale stirred-tank bioreactors for the study of biphasic whole-cell biocatalysis with ionic liquids. PubMed: Evaluation of the use of Syzygium cumini fruit extract as an antioxidant additive in orange juice and its sensorial impact. PubMed: Controlling the facial selectivity of asymmetric [4+2] cyclo-additions: a concise synthesis of the cis-decalin core structure of superstolides A and B. PubMed: Thermodynamics and activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid N-hexyl-3-methylpyridinium tosylate. PubMed: Comparison of volatile components in Chinese traditional pickled peppers using HS-SPME-GC-MS, GC-O and multivariate analysis. PubMed: Solvent free oxidation of primary alcohols and diols using thymine iron(III) catalyst. PubMed: Novel aspect of ketone action: β-hydroxybutyrate increases brain synthesis of kynurenic acid in vitro. PubMed: Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment. PubMed: Neurotoxicity of fungal volatile organic compounds in Drosophila melanogaster. PubMed: Prolonged stimulus exposure reveals prolonged neurobehavioral response patterns. PubMed: Hollow fiber-liquid-phase microextraction of fungicides from orange juices. PubMed: Asymmetric [4+2] cycloadditions employing 1,3-dienes derived from (R)-4-t-butyldimethyl-silyloxy-2-cyclohexen-1-one. PubMed: Purification and characterization of an anti-Prelog alcohol dehydrogenase from Oenococcus oeni that reduces 2-octanone to (R)-2-octanol. PubMed: Widespread occurrence of estrogenic UV-filters in aquatic ecosystems in Switzerland. PubMed: Ionic liquid based dispersive liquid-liquid microextraction for the extraction of pesticides from bananas. PubMed: Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats. PubMed: Selective three-phase liquid phase microextraction of acidic compounds from foodstuff simulants. PubMed: Chemical characterization of territorial marking fluid of male Bengal tiger, Panthera tigris. PubMed: Templation of the excited-state chemistry of alpha-(n-alkyl) dibenzyl ketones: how guest packing within a nanoscale supramolecular capsule influences photochemistry. PubMed: Optimization of chlorophyllase-catalyzed hydrolysis of chlorophyll in monophasic organic solvent media. PubMed: Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments. PubMed: Glial-cytokine-neuronal interactions underlying the mechanisms of persistent pain. PubMed: Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol. PubMed: Anti-prelog reduction of prochiral carbonyl compounds by Oenococcus oeni in a biphasic system. PubMed: Chemical boundaries for detection of eye irritation in humans from homologous vapors. PubMed: Dominant role for calpain in thromboxane-induced neuromicrovascular endothelial cytotoxicity. PubMed: Stability of immobilized soybean lipoxygenase in selected organic solvent media. PubMed: Stereoselective synthesis of c3-c12 dihydropyran portion of antitumor laulimalide using copper-catalyzed oxonium ylide formation-[2,3] shift. PubMed: 1,4-hydroxycarbonyl products of the OH radical initiated reactions of C5-C8 n-alkanes in the presence of NO. PubMed: Bis{1-n-hexyl-3-methyl-4-[1-(phenylimino)propyl]-1H-pyrazol-5-olato}copper(II): a new copper(II) complex with a chelating alkylpyrazolone-based enamine. PubMed: Characterization of French and Spanish dry-cured hams: influence of the volatiles from the muscles and the subcutaneous fat quantified by SPME-GC. PubMed: Designing the "search pathway" in the development of a new class of highly efficient stereoselective hydrosilylation catalysts. PubMed: High-yield conversion of (R)-2-octanol from the corresponding racemate by stereoinversion using Candida rugosa. PubMed: Bimetallic isopropoxides M[Al(OC(3)H(i)(7))(4)](3) (M = Pr, Nd)--catalyzed reduction of 2-octanone and benzophenone. PubMed: Controlled production of Camembert-type cheeses. Part II. Changes in the concentration of the more volatile compounds. PubMed: Use of an ionic liquid in a two-phase system to improve an alcohol dehydrogenase catalysed reduction. PubMed: Expression of adhesion molecules by sphingosine 1-phosphate and histamine in endothelial cells. PubMed: Volatiles in a sausage surface model-influence of Penicillium nalgiovense, Pediococcus pentosaceus, ascorbate, nitrate and temperature. PubMed: An efficient direct alpha-alkylation of ketones with primary alcohols catalyzed by [Ir(cod)Cl]2/PPh3/KOH system without solvent. PubMed: Analysis of ketones by selected ion flow tube mass spectrometry. PubMed: Synthesis of (4R,6S,7R)-7-hydroxy-4,6-dimethyl-3-nonanone and (3R,5S,6R)- 6-hydroxy-3,5-dimethyl-2-octanone, the pheromone components of the bostrychid beetle, Dinoderus bifoveolatus. PubMed: Associative learning of complex odours in parasitoid host location. PubMed: Relationship between molecular structure, concentration and odor qualities of oxygenated aliphatic molecules. PubMed: Chlorpromazine inhibits the glucocorticoid receptor-mediated gene transcription in a calcium-dependent manner. PubMed: Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O. PubMed: Influence of lipid fraction, emulsifier fraction, and mean particle diameter of oil-in-water emulsions on the release of 20 aroma compounds. PubMed: Selective Oxidation of Vinyl Ethers and Silyl Enol Ethers with Hydrogen Peroxide Catalyzed by Peroxotungstophosphate. PubMed: An enantiospecific approach to tricyclic sesquiterpenes mayurone and thujopsenes. PubMed: Asymmetric reduction of ketones with catecholborane using 2,6-BODOL complexes of titanium(IV) as catalysts. PubMed: Interactions between artificial saliva and 20 aroma compounds in water and oil model systems. PubMed: Signalling mechanisms underlying the myogenic response in human subcutaneous resistance arteries. PubMed: Efficient oxidation of alcohols to carbonyl compounds with molecular oxygen catalyzed by N-hydroxyphthalimide combined with a Co species PubMed: Interactions between methyl ketones and beta-lactoglobulin: sensory analysis, headspace analysis, and mathematical modeling. PubMed: Blocking and the detection of odor components in blends. PubMed: Interactions of flavor compounds with pectic substances. PubMed: Oxidative cleavage of the octyl side chain of 1-(3,4-dichlorobenzyl)-5-octylbiguanide (OPB-2045) in rat and dog liver preparations. PubMed: Effect of aeration during cell growth on ketone reactions by immobilized yeast. PubMed: Interactions between aroma and edible films. 1. Permeability Of methylcellulose and low-density polyethylene films to methyl ketones. PubMed: Solvent-modified solid-phase microextraction for the determination of diazepam in human plasma samples by capillary gas chromatography. PubMed: An analysis of blocking in odorant mixtures: an increase but not a decrease in intensity of reinforcement produces unblocking. PubMed: Neighboring Group Participation in a Regio- and Stereoselective Chlorination of a Bicyclo[2.2.2]octanone. PubMed: Enhanced sensitivity to androstenone following regular exposure to pemenone. PubMed: Effects of solvation on partition and dimerization of benzoic acid in mixed solvent systems. PubMed: Ketone EC50 values in the Microtox test. PubMed: Structure, stereochemistry, and thermal isomerization of the male sex pheromone of the longhorn beetle Anaglyptus subfasciatus. PubMed: Immiscible organic solvent inactivation of urease, chymotrypsin, lipase, and ribonuclease: separation of dissolved solvent and interfacial effects. PubMed: Juvenile hormone esterase purified by affinity chromatography with 8-mercapto-1,1,1-trifluoro-2-octanone as a rationally designed ligand. PubMed: Sensory irritation and pulmonary irritation of n-methyl ketones: receptor activation mechanisms and relationships with threshold limit values. PubMed: Effect of some metallic cations and organic compounds on the O-hexyl O-2,5-dichlorophenyl phosphoramidate hydrolysing activity in hen plasma. PubMed: Competitive inhibition of lipolytic enzymes. VII. The interaction of pancreatic phospholipase A2 with micellar lipid/water interfaces of competitive inhibitors. PubMed: Electroantennogram response of alfalfa seed chalcid,Bruchophagus roddi (Hymenoptera: Eurytomidae) to host- and nonhost-plant volatiles. PubMed: Antidopaminergic effects of the stereoisomers of N-[(1-alkyl-2- pyrrolidinyl)methyl]-5-sulfamoylbenzamides and -2,3-dihydrobenzofuran-7-carboxamides. PubMed: Inhibition of cathepsin B and papain by peptidyl alpha-keto esters, alpha-keto amides, alpha-diketones, and alpha-keto acids. PubMed: Volatile methyl ketone seed-germination inhibitors fromAmaranthus palmeri S. Wats. Residues. PubMed: Experimental study on the enhancement of the neurotoxicity of methyl n-butyl ketone by non-neurotoxic aliphatic monoketones. PubMed: Neurophysiological studies on the relation between the structural properties and neurotoxicity of aliphatic hydrocarbon compounds in rats. PubMed: Volatile constituents of wolf (Canis lupus) urine as related to gender and season. PubMed: Further studies on ketone neurotoxicity and interactions. PubMed: [An experimental study on the neurotoxicity of 2-octanone and 2-hexanol, a metabolite of n-hexane]. PubMed: Commercial-grade methyl heptyl ketone (5-methyl-2-octanone) neurotoxicity: contribution of 5-nonanone. PubMed: Gas-chromatographic resolution of enantiomeric secondary alcohols. Stereoselective reductive metabolism of ketones in rabbit-liver cytosol. PubMed: Cycloalkanones. 9. Comparison of analogues which inhibit cholesterol and fatty acid synthesis. PubMed: Cycloalkanones. 7. Hypocholesterolemic activity of aliphatic compounds related to 2,8-dibenzylcyclooctanone.