Identification

Namemesityl oxide
IUPAC4-methylpent-3-en-2-one
CAS Number141-79-7
EINECS205-502-5
FDA UNII77LAC84669
Molecular FormulaC6 H10 O
Molecular Weight98.14490000
MDL NumberMFCD00008900
Nikkaji NumberJ2.540B
Beilstein1361550
CoE Number11853

Regulatory

JECFA Food Flavoring1131 4-methyl-3-penten-2-one
DG SANTE Food Flavourings07.101 4-methylpent-3-en-2-one
FEMA Number3368
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)141-79-7 ; 4-METHYL-3-PENTEN-2-ONE

Physical Properties

Appearance colorless to yellow oily liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.86200 to 0.86800 @ 25.00 °C.
Pounds per Gallon - (est). 7.173 to 7.223
Refractive Index 1.44200 to 1.44700 @ 20.00 °C.
Melting Point -53.00 °C. @ 760.00 mm Hg
Boiling Point 126.76 °C. @ 760.00 mm Hg, 41.00 °C. @ 23.00 mm Hg
Vapor Pressure 8.757000 mmHg @ 25.00 °C. (est)
Flash Point 87.00 °F. TCC ( 30.56 °C. )
logP (o/w) 1.069 (est)
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description
at 10.00 % in propylene glycol.
at 1.00 %.
Taste Description at 3.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rabbit LD50 1000 mg/kg
Dermal Toxicitysubcutaneous-frog LDLo 1400 mg/kg
Inhalation Toxicityinhalation-mouse LC50 10000 mg/m3/2H

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
Maximised Survey-derived Daily Intakes (MSDI-EU)0.34 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)ND (μg/capita/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
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-
Dairy products, excluding products of category 02.0 (01.0)0.40000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)-
Edible ices, including sherbet and sorbet (03.0)0.75000
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)1.12000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)-
Bakery wares (07.0)2.25000
Meat and meat products, including poultry and game (08.0)-
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)-
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.50000
Foodstuffs intended for particular nutritional uses (13.0)0.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)-
Ready-to-eat savouries (15.0)-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)-

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

Sigma-Aldrich

Complete Supply Chain

The perfect blend of products and services that bring your creativity to life.

View All Website 800-244-1173 ff@sial.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;

Potential Uses

FL vegetable

Natural Occurrence

cayenne fruit cedarwood oil lebanon @ >0.10% Data coffee PMC osmanthus absolute @ trace% Data pepper bell pepper fruit

Synonyms

iso butenyl methyl ketone 2,2- dimethyl vinyl methyl ketone 2,2- dimethylvinyl methyl ketone 3-iso hexen-2-one mesityl oxide mesityl oxide natural mesityloxyde methyl 2-methyl-1-propenyl ketone methyl 2,2-dimethyl vinyl ketone methyl 2,2-dimethylvinyl ketone methyl isobutenyl ketone 4- methyl pent-3-en-2-one 2- methyl-2-penten-4-one 4- methyl-3-penten-2-one 4- methyl-3-pentene-2-one 2- methyl-4-oxo-2-pentene 4- methyl-pent-3-en-2-one 4- methylpent-3-en-2-one 3- penten-2-one, 4-methyl- iso propylidene acetone iso propylideneacetone PubMed: A quick, simple, robust method to measure the acidity of ionic liquids. PubMed: Determination of residual acetone and acetone related impurities in drug product intermediates prepared as Spray Dried Dispersions (SDD) using gas chromatography with headspace autosampling (GCHS). PubMed: Integration of stable isotope and trace contaminant concentration for enhanced forensic acetone discrimination. PubMed: Evaluation of electroosmotic markers in aqueous and nonaqueous capillary electrophoresis. PubMed: On the adsorption/reaction of acetone on pure and sulfate-modified zirconias. PubMed: Morphology control in mesoporous carbon films using solvent vapor annealing. PubMed: Determination of effective mobilities of EOF markers in BGE containing sulfated β-cyclodextrin by a two-detector method. PubMed: Roles of acetone and diacetone alcohol in coordination and dissociation reactions of uranyl complexes. PubMed: Migration behaviour of discontinuous buffers in capillary electrophoresis during protein enrichment. PubMed: Effects of curcumin and related compounds on processes involving α-hydroxyethyl radicals. PubMed: A trans-AB-bacteriochlorin building block. PubMed: TRPA1 is activated by direct addition of cysteine residues to the N-hydroxysuccinyl esters of acrylic and cinnamic acids. PubMed: A systematic study on the activation of simple polyethers by MoCl5 and WCl6. PubMed: Synthesis of modified homo-N-nucleosides from the reactions of mesityl nitrile oxide with 9-allylpurines and their influence on lipid peroxidation and thrombin inhibition. PubMed: Application of artificial neural networks in the prediction of product distribution in electrophoretically mediated microanalysis. PubMed: Acetone reactions over the surfaces of polycrystalline UO2: a kinetic and spectroscopic study. PubMed: Function-oriented synthesis applied to the anti-botulinum natural product toosendanin. PubMed: Structural and formulation factors influencing pyridinium lipid-based gene transfer. PubMed: Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats. PubMed: Speciation of vanadium in soil. PubMed: Speciation of scandium and gallium in soil. PubMed: Surprising structural lability of a cysteine-S-conjugate precursor of 4-methyl-4-sulfanylpentan-2-one, a varietal aroma in wine of Vitis vinifera L. cv. Sauvignon blanc. PubMed: Origins of selectivity for the [2+2] cycloaddition of alpha,beta-unsaturated ketones within a porous self-assembled organic framework. PubMed: Photochemistry of the indoor air pollutant acetone on Degussa P25 TiO2 studied by chemical ionization mass spectrometry. PubMed: [Sensory evaluation test: odor component analysis and endotoxin content of Krestin and Carbocrin (generic drug) to compare palatability]. PubMed: Two-dimensional capillary electrophoresis using tangentially connected capillaries. PubMed: On the mechanism of the Skraup-Doebner-Von Miller quinoline synthesis. PubMed: A new approach to promoting sluggish Diels-Alder reactions: dihapto-coordination of the diene. PubMed: An experimental study of the gas-phase reaction of the NO3 radical with alpha,beta-unsaturated carbonyl compounds. PubMed: Refined Synthesis of 2,3,4,5-Tetrahydro-1,3,3-trimethyldipyrrin, a Deceptively Simple Precursor to Hydroporphyrins. PubMed: Proline-coated column for the capillary electrochromatographic separation of amino acids by in-column derivatization. PubMed: The strongest isolable acid. PubMed: Analysis of a model reaction system containing cysteine and (E)-2-methyl-2-butenal, (E)-2-hexenal, or mesityl oxide. PubMed: Volatile compounds emitted by sclerotia of Sclerotinia minor, Sclerotinia sclerotiorum, and Sclerotium rolfsii. PubMed: Reaction of Resorcinol with alpha,beta-Unsaturated Ketones. PubMed: Medium-throughput pKa screening pharmaceuticals by pressure-assisted capillary electrophoresis. PubMed: Spectrophotometric determination of ferbam (iron(III) dimethyldithiocarbamate) in commercial sample and wheat grains using 4,7-diphenyl-1,10-phenanthroline after extraction into mesityl oxide. PubMed: Quantitative determination of sulfur containing wine odorants at sub-ppb levels. 1. Synthesis of the deuterated analogues. PubMed: Preparation and evaluation of an imidazole-coated capillary column for the electrophoretic separation of aromatic acids. PubMed: Isotope effects and syn selectivity in the ene reaction of triazolinedione with conjugated enones: aziridinium imide or an open intermediate mechanism? PubMed: Olfactory and quantitative analysis of aroma compounds in elder flower (Sambucus nigra L.) drink processed from five cultivars. PubMed: A robust method for determining DNA binding constants using capillary zone electrophoresis. PubMed: A strategy for the mapping of N-glycans by high-performance capillary electrophoresis. PubMed: The analysis of multiple phosphoseryl-containing casein peptides using capillary zone electrophoresis. PubMed: Optimization of resolution in capillary zone electrophoresis: combined effect of applied voltage and buffer concentration. PubMed: Adrenal-dependent leucopenia after short-term exposure to various airborne irritants in rats. PubMed: Low-dose-rate effect of tritium beta-rays on transfection activity of phage DNA related to an oxidative species different from .OH, HO2. O2-., and H2O2. PubMed: 2,4-Diamino-5-benzylpyrimidines and analogues as antibacterial agents. 12. 1,2-Dihydroquinolylmethyl analogues with high activity and specificity for bacterial dihydrofolate reductase. PubMed: Second derivative spectrophotometric determination of iron by extraction of the ferroin-perchlorate ion-association complex into mesityl oxide. PubMed: Mutagen production by chlorination of methylated alpha,beta-unsaturated ketones. PubMed: Quantitative evaluation of sensory irritating and neurobehavioural properties of aliphatic ketones in mice. PubMed: Extraction of zinc, cadmium and mercury salicylates. PubMed: Biotransformation of monoterpenes by Mentha cell lines. PubMed: Selective extractive separation of zinc, cadmium and lead from iodide media with mesityl oxide. PubMed: Extraction and separation of bismuth(III). PubMed: [Effect of 4-methyl-3-penten-2-one (1-phthalazinyl) hydrazone (budralazine) on intra- and extracranial circulation in cats (author's transl)]. PubMed: Solvent extraction separation of hafnium with 4-methyl-3-pentene-2-one. PubMed: [Styrene migration into wine contained in polyester resin tanks]. PubMed: Extraction and spectrophotometric determination of cobalt(II) with thiobenzoylacetone and simultaneous determination of cobalt and nickel. PubMed: Reaction of glutathione with conjugated carbonyls. PubMed: Solvent extraction of tellurium(IV) with mesityl oxide. Direct nephelometric determination. PubMed: beta-Methyl-delta-keto-Delta(alphabeta)-hexenoic acid and mesityl oxide as acetyl donors in the enzymic synthesis of acetylcholine. PubMed: Hygienic guide series: mesityl oxide. PubMed: Liquid-liquid extraction of tungsten(VI) with mesityl oxide application to an alloy steel. PubMed: Separation of zirconium by thin-layer chromatography. PubMed: [Reaction of phosphatides containing ethanolamine with an alpha,beta-unsaturated ketone (mesityl oxide)]. PubMed: Catty odours in food: their production in meat stores from mesityl oxide in paint solvents. PubMed: Catty odours in food: their production in meat stores from mesityl oxide in paint solvents. PubMed: Catty odours in food: the reaction between mesityl oxide and sulphur compounds in foodstuffs. PubMed: The effect of crotonylidene isonicotinic acid hydrazone (CIH) and mesityl oxide hydrazone (MIH) in experimental tuberculosis. PubMed: The sulphonation of mesityl oxide. PubMed: The isolation and purification of two isomers of mesityl oxide. PubMed: Acid-base catalysis in non-aqueous solvents; the isomerisation of methyl mesityl oxide oxalate in chlorobenzene solution at 99 degrees.