Identification

Namebutyl methyl ketone
IUPAChexan-2-one
CAS Number591-78-6
EINECS209-731-1
FDA UNII6QDY60NH6N
Molecular FormulaC6 H12 O
Molecular Weight100.16084000
MDL NumberMFCD00009482
Nikkaji NumberJ3.303K
Beilstein1737676
CoE Number11776
XlogP31.40 (est)

Regulatory

Physical Properties

Appearance colorless clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Melting Point -55.50 °C. @ 760.00 mm Hg
Boiling Point 127.60 °C. @ 760.00 mm Hg
Vapor Pressure 11.600000 mmHg @ 25.00 °C.
Flash Point 95.00 °F. TCC ( 35.00 °C. )
logP (o/w) 1.380
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesnot used anymore

Organoleptic Properties

Odor Description at 1.00 % in dipropylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 2590 mg/kg
Dermal Toxicityskin-rabbit LD50 4800 mg/kg
Inhalation Toxicityinhalation-rat LC50 8000 ppm/4H

GHS Classification

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

Safety in Use

Categoryflavoring agents
Recommendation for butyl methyl ketone usage levels up tonot for fragrance use.

Beijing Lys Chemicals Co, LTD.

From Grams to Tons

Fine chemical high-tech company which contains R&D, production, and sales.

View All Website 86-10-68418738 jiayanyong@lyschem.com

CJ Latta & Associates, LLC

Extensive Line

Aromatic Chemicals and Organic Acids.

View All Website (630) 240-8079 chiplatta@msn.com

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

View All Website 1-800-423-8616 Sales-US@TCIchemicals.com;

WholeChem, LLC

Connecting Innovators To the Building Blocks Of the Universe

Custom manufacturer and distributor of specialty ingredients. We make global local.

View All Website +1 (262) 995.8668 info@wholechem.com

Potential Uses

None Found

Natural Occurrence

clove bud oil @ 0.05% Data clove fruit clove leaf oil @ 0.03% Data clove oil clove stem oil india @ 0.05% Data corn husk oil corn seed oil hyssop shoot pepper bell pepper fruit plumcot fruit PMC

Synonyms

N- butyl methyl ketone butylmethyl ketone hexan-2-one 2-oxo hexane 2- hexanone ketone, butyl methyl MBK methyl butyl ketone methyl N-butyl ketone methylbutyl ketone propyl acetone propylacetone PubMed: Volatile Organic Compounds during Inflammation and Sepsis in Rats: A Potential Breath Test Using Ion-mobility Spectrometry. PubMed: Reaction rate constants of H-abstraction by OH from large ketones: measurements and site-specific rate rules. PubMed: Binding of carbonyl flavours to canola, pea and wheat proteins using GC/MS approach. PubMed: Salivary microbiota and metabolome associated with celiac disease. PubMed: Combined IR/NIR and density functional theory calculations analysis of the solvent effects on frequencies and intensities of the fundamental and overtones of the C ═ O stretching vibrations of acetone and 2-hexanone. PubMed: Development of an electrospray-(63)Ni-differential ion mobility spectrometer for the analysis of aqueous samples. PubMed: [Biomonitoring of exposure to chemical products in environmental and workplace toxicology]. PubMed: Furry pet allergens, fungal DNA and microbial volatile organic compounds (MVOCs) in the commercial aircraft cabin environment. PubMed: Brushed block copolymer micelles with pH-sensitive pendant groups for controlled drug delivery. PubMed: Can volatile organic metabolites be used to simultaneously assess microbial and mite contamination level in cereal grains and coffee beans? PubMed: Mass and Ion Transport in Ketones and Ketone Electrolytes: Comparison with Acetate Systems. PubMed: An endophytic Nodulisporium sp. from Central America producing volatile organic compounds with both biological and fuel potential. PubMed: Airborne molds and bacteria, microbial volatile organic compounds (MVOC), plasticizers and formaldehyde in dwellings in three North European cities in relation to sick building syndrome (SBS). PubMed: Blending synthetic pheromones of cerambycid beetles to develop trap lures that simultaneously attract multiple species. PubMed: Analysis of volatile organic compounds released from human lung cancer cells and from the urine of tumor-bearing mice. PubMed: Bioactivity of short-chain aliphatic ketones against adults of the granary weevil, Sitophilus granarius (L.). PubMed: Simplification of a complex microbial antilisterial consortium to evaluate the contribution of its flora in uncooked pressed cheese. PubMed: Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example. PubMed: Improved synthesis of three methyl-branched pheromone components produced by the female lichen moth. PubMed: Thermodynamic properties of hyperbranched polymer, Boltorn U3000, using inverse gas chromatography. PubMed: Degradation of hexane and other recalcitrant hydrocarbons by a novel isolate, Rhodococcus sp. EH831. PubMed: Quantification of volatile compounds in goat milk Jack cheese using static headspace gas chromatography. PubMed: High-pressure ion mobility spectrometry. PubMed: Biocatalytical production of (5S)-hydroxy-2-hexanone. PubMed: Extraction and spectrophotometric determination of cobalt(II) with isonitroso-5-methyl-2-hexanone. PubMed: Headspace solid phase microextraction/gas chromatography-mass spectrometry combined to chemometric analysis for volatile organic compounds determination in canine hair: a new tool to detect dog contamination by visceral leishmaniasis. PubMed: Airborne concentrations of volatile organic compounds in neonatal incubators. PubMed: Aroma barrier properties of sodium caseinate-based films. PubMed: Microbial volatile organic compounds in the air of moldy and mold-free indoor environments. PubMed: Acid-catalyzed isomerization and decomposition of ketone-2,4-dinitrophenylhydrazones. PubMed: Evaluation of lipid oxidation and oxidative products as affected by pork meat cut, packaging method, and storage time during frozen storage (-10 degrees C). PubMed: Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments. PubMed: Rate constants for the reaction of cl with a series of C4 to C6 ketones using the relative rate method. PubMed: [Identification of volatiles from field cotton plant under different induction treatments]. PubMed: Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum. PubMed: Pulsed laser photolysis vacuum UV laser-induced fluorescence kinetic study of the gas-phase reactions of Cl(2P3/2) atoms with C3-C6 ketones. PubMed: Ozone artifacts and carbonyl measurements using Tenax GR, Tenax TA, Carbopack B, and Carbopack X adsorbents. PubMed: Solid-phase microextraction: investigation of the metabolism of substances that may be abused by inhalation. PubMed: Quantitative determination of thermally derived off-flavor compounds in milk using solid-phase microextraction and gas chromatography. PubMed: Degradation characteristics of methyl ethyl ketone by Pseudomonas sp. KT-3 in liquid culture and biofilter. PubMed: Capture of female Hylotrupes bajulus as influenced by trap type and pheromone blend. PubMed: 1,4-hydroxycarbonyl products of the OH radical initiated reactions of C5-C8 n-alkanes in the presence of NO. PubMed: Enhancement of attraction and trap catches of the old-house borer, Hylotrupes bajulus (Coleoptera: Cerambycidae), by combination of male sex pheromone and monoterpenes. PubMed: Tropospheric reaction of OH with selected linear ketones: kinetic studies between 228 and 405 K. PubMed: Microwave-assisted derivatization of 2,5-hexanedione in urine: evaluation using GC-MS and GC-ECD. PubMed: Synthesis of 3'-fluoro-2',3'-dideoxy-2',3'-didehydro-4'-ethynyl-D- and -L-furanosyl nucleosides. PubMed: Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D. PubMed: The prodrug activator EtaA from Mycobacterium tuberculosis is a Baeyer-Villiger monooxygenase. PubMed: Migration of volatile degradation products into ozonated water from plastic packaging materials. PubMed: Free and total 2,5-hexanedione in biological monitoring of workers exposed to n-hexane in the shoe industry. PubMed: Synthesis, structural characterization and antimicrobial studies of hydrazone derivatives of 3-hydroxyimino-5-methyl-2-hexanone. PubMed: Evaluation of 2,5-hexanedione in urine of workers exposed to n-hexane in Brazilian shoe factories. PubMed: Synthesis and antimicrobial activity of 3-hydroxyimino-5-methyl-2-hexanone(HIMH) and its dioxime derivative. PubMed: Aromatic as well as aliphatic hydrocarbon solvent axonopathy. PubMed: Determination of unique microbial volatile organic compounds produced by five Aspergillus species commonly found in problem buildings. PubMed: Detection and quantification of ochratoxin A and deoxynivalenol in barley grains by GC-MS and electronic nose. PubMed: The generalization of an olfactory-based conditioned response reveals unique but overlapping odour representations in the moth Manduca sexta. PubMed: Aroma compounds-proteins interaction using headspace techniques. PubMed: Evaluation of individual components of plum odor as potential attractants for adult plum curculios. PubMed: Positional effect of solute functional group among positional isomers in hydroxyl group-solvent and carbonyl group-solvent specific interactions in menthanol--water mixed solvents monitored by high-performance liquid chromatography. PubMed: Ruthenium complex-catalyzed anti-Markovnikov hydration of terminal alkynes. PubMed: Regulated workplace ketones and their interference in the PFBHA method for aldehydes. PubMed: Modular representations of odorants in the glomerular layer of the rat olfactory bulb and the effects of stimulus concentration. PubMed: Effect of aeration during cell growth on ketone reactions by immobilized yeast. PubMed: NAD(+)-dependent (S)-specific secondary alcohol dehydrogenase involved in stereoinversion of 3-pentyn-2-ol catalyzed by Nocardia fusca AKU 2123. PubMed: Determination of free and glucuronated hexane metabolites without prior hydrolysis by liquid- and gas-chromatography coupled with mass spectrometry. PubMed: Evidence for an inducible nucleotide-dependent acetone carboxylase in Rhodococcus rhodochrous B276. PubMed: Water activity control: a way to improve the efficiency of continuous lipase esterification. PubMed: Determination of n-hexane metabolites by liquid chromatography/mass spectrometry. 2. Glucuronide-conjugated metabolites in untreated urine samples by electrospray ionization. PubMed: Determination of n-hexane metabolites by liquid chromatography/mass spectrometry. 1. 2,5-hexanedione and other phase I metabolites in untreated and hydrolyzed urine samples by atmospheric pressure chemical ionization. PubMed: Do endogenous volatile organic chemicals measured in breath reflect and maintain CYP2E1 levels in vivo? PubMed: Method for the simultaneous quantification of n-hexane metabolites: application to n-hexane metabolism determination. PubMed: Toxic effects of hexane derivatives on cultured rat Schwann cells. PubMed: In vitro quantitative structure-activity relationship assessment of pyrrole adducts production by gamma-diketone-forming neurotoxic solvents. PubMed: Different contributions of cytochrome P450 2E1 and P450 2B1/2 to chloroform hepatotoxicity in rat. PubMed: Structure, stereochemistry, and thermal isomerization of the male sex pheromone of the longhorn beetle Anaglyptus subfasciatus. PubMed: Induction of chromosome loss in yeast by combined treatment with neurotoxic hexacarbons and monoketones. PubMed: Sensory irritation and pulmonary irritation of n-methyl ketones: receptor activation mechanisms and relationships with threshold limit values. PubMed: A markedly diminished pleiotropic response to phenobarbital and structurally-related xenobiotics in Zucker rats in comparison with F344/NCr or DA rats. PubMed: A pleiotropic response to phenobarbital-type enzyme inducers in the F344/NCr rat. Effects of chemicals of varied structure. PubMed: Compounds affecting mosquito oviposition: structure-activity relationships and concentration effects. PubMed: Immunochemical detection of cytochrome P450 isozymes induced in rat liver by n-hexane, 2-hexanone and acetonyl acetone. PubMed: Gonadotoxic effects of 2-hexanone and 1,2-dibromo-3-chloropropane on the enzymatic activity of rat testicular 17 alpha-hydroxylase/C17,20-lyase. PubMed: Evidence for the involvement of organelles in the mechanism of ketone-potentiated chloroform-induced hepatotoxicity. PubMed: The neurotoxic effect of carbon disulphide, N-hexane and its metabolites studied with erythrocyte and synaptosome membranes in vitro. PubMed: Induction of chromosome loss by mixtures of organic solvents including neurotoxins. PubMed: Induction of cytochromes P450IIE1 and P450IIB1 by secondary ketones and the role of P450IIE1 in chloroform metabolism. PubMed: Synthesis and pheromonal activity of 6,10,13-trimethyl-1-tetradecanol for predatory stink bug,Stiretrus anchorago (Heteroptera: Pentatomidae). PubMed: Cytoskeletal changes induced in vitro by 2,5-hexanedione: an immunocytochemical study. PubMed: Volatile methyl ketone seed-germination inhibitors fromAmaranthus palmeri S. Wats. Residues. PubMed: The relevance of 4,5-dihydroxy-2-hexanone in the excretion kinetics of n-hexane metabolites in rat and man. PubMed: The role of biotransformation-detoxication in acetone-, 2-butanone-, and 2-hexanone-potentiated chloroform-induced hepatotoxicity. PubMed: Disposition, pharmacokinetics, and metabolism of a dermal dose of [14C]2,5-hexanedione in hens. PubMed: 4,5-Dihydroxy-2-hexanone: a new metabolite of N-hexane and of 2,5-hexanedione in rat urine. PubMed: Modifications in rat hepatobiliary function following treatment with acetone, 2-butanone, 2-hexanone, mirex, or chlordecone and subsequently exposed to chloroform. PubMed: Renal and hepatic interactions between 2-hexanone and carbon tetrachloride in F-344 rats. PubMed: Impairment of human polymorphonuclear leukocyte chemotaxis by 2,5-hexanedione. PubMed: Methodological investigations on the determination of n-hexane metabolites in urine. PubMed: Analysis of n-hexane, 2-hexanone, 2,5-hexanedione, and related chemicals by capillary gas chromatography and high-performance liquid chromatography. PubMed: The joint neurotoxic action of inhaled methyl butyl ketone vapor and dermally applied O-ethyl O-4-nitrophenyl phenylphosphonothioate in hens: potentiating effect. PubMed: Role of intrarenal biotransformation in chloroform-induced nephrotoxicity in rats. PubMed: Temporal analysis of rat liver injury following potentiation of carbon tetrachloride hepatotoxicity with ketonic or ketogenic compounds. PubMed: Dose-response relationships in ketone-induced potentiation of chloroform hepato- and nephrotoxicity. PubMed: Nephrotoxic interactions between ketonic solvents and halogenated aliphatic chemicals. PubMed: An electrophysiological study of 2-hexanone and 2,5-hexanedione neurotoxicity in rats. PubMed: Mechanisms in 2-hexanone potentiation of chloroform hepatotoxicity. PubMed: Anaesthetic action of esters and ketones: evidence for an interaction with the sodium channel protein in squid axons. PubMed: 2-hexanone potentiation of [14C]chloroform hepatotoxicity: covalent interaction of a reactive intermediate with rat liver phospholipid. PubMed: In vitro effect of n-hexane and its metabolites on selected enzymes in glycolysis, pentose phosphate pathway and citric acid cycle. PubMed: Relationship between the carbon skeleton length of ketonic solvents and potentiation of chloroform-induced hepatotoxicity in rats. PubMed: Ultrastructural studies of the dying-back process. VI. Examination of nerve fibers undergoing giant axonal degeneration in organotypic culture. PubMed: [An experimental study on the neurotoxicity of 2-octanone and 2-hexanol, a metabolite of n-hexane]. PubMed: Neurotoxicity of continuous (90 days) inhalation of technical grade methyl butyl ketone in hens. PubMed: Toxicity and metabolism of the neurotoxic hexacarbons n-hexane, 2-hexanone, and 2,5-hexanedione. PubMed: Microbial Oxidation of Gaseous Hydrocarbons: Production of Methylketones from Corresponding n-Alkanes by Methane-Utilizing Bacteria. PubMed: Clinical epidemiology of occupational neurotoxic disease. PubMed: Microbial production of methyl ketones. Purification and properties of a secondary alcohol dehydrogenase from yeast. PubMed: Oxidation of secondary alcohols to methyl ketones by yeasts. PubMed: Simultaneous determination of n-hexane, 2-hexanone and 2,5-hexanedione in biological tissues by gas chromatography mass spectrometry. PubMed: Peripheral nervous system in a case of canine giant axonal neuropathy. PubMed: The effect of 2-hexanone and 2-hexanone metabolites on pupillomotor activity and growth. PubMed: Toxicity and metabolism of methyl n-butyl ketone. PubMed: 2-hexanone. (Methylbutyl ketone, MBK). PubMed: 2-Hexanone (methyl-n-butyl ketone, n-butyl methyl ketone, propyl acetone).