isobutyl methyl ketone

4-methyl-2-pentanone

CAS: 108-10-1 C6 H12 O MW: 100.16084000 green green

Identification

Nameisobutyl methyl ketone
IUPAC4-methylpentan-2-one
CAS Number108-10-1
EINECS203-550-1
FDA UNIIU5T7B88CNP
Molecular FormulaC6 H12 O
Molecular Weight100.16084000
MDL NumberMFCD00008938
Nikkaji NumberJ2.861D
Beilstein0605399
CoE Number151
XlogP31.30 (est)

Regulatory

JECFA Food Flavoring301 4-methyl-2-pentanone
DG SANTE Food Flavourings07.017 4-methylpentan-2-one
FEMA Number2731
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)108-10-1 ; METHYL ISOBUTYL KETONE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless clear liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed Yes
Specific Gravity 0.79600 to 0.79900 @ 25.00 °C.
Pounds per Gallon - (est). 6.624 to 6.648
Refractive Index 1.39100 to 1.39600 @ 20.00 °C.
Melting Point -84.00 °C. @ 760.00 mm Hg
Boiling Point 116.50 °C. @ 760.00 mm Hg
Acid Value 2.00 max. KOH/g
Vapor Pressure 19.900000 mmHg @ 25.00 °C.
Vapor Density 3.5 ( Air = 1 )
Flash Point 56.00 °F. TCC ( 13.33 °C. )
logP (o/w) 1.310
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesdenaturants

Organoleptic Properties

Odor Description
at 10.00 % in dipropylene glycol.
Sharp solvent-like with green, herbal, fruity and dairy nuances
A sharp, green, herbal, fruity, spicy aroma
Fruity, Ethereal, Spicy
Sharp, solvent-like, ethereal, fruity, green. Diffusive
Taste Description
Green, vegetative, herbal, fruity and dairy nuances
green

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 2080 mg/kg
Dermal Toxicityskin-rabbit LD50 > 3000 mg/kg
Inhalation Toxicityinhalation-rat LC50 100000 mg/m3

GHS Classification

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

Safety in Use

Categorycosmetic, flavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for isobutyl methyl ketone usage levels up to0.5000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)6.10 (μg/capita/day)
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-

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Potential Uses

FR apple FR banana FR cherry FR cream FL dairy FR fruit FR grape FR green FR herbal FR mint FR orange FR pear FR pineapple FR spice FL whiskey

Natural Occurrence

beer PMC coffee PMC elder black elder flower oil ginger oil grape lavender oil spike spain @ 0.003% Data orange fruit strawberry fruit 0.40% tagete oil rwanda @ 0.03% Data vinegar

Synonyms

iso butylmethyl ketone iso hexanone hexone ketone, isobutyl methyl methyl 2-methylpropyl ketone 4- methyl 2-pentanone methyl iso-butyl ketone methyl isobutyl ketone methyl isobutyl ketone natural 4- methyl pentan-2-one 2- methyl propyl methyl ketone 4- methyl-2-oxopentane 4- methyl-2-pentanone 2- methyl-4-oxopentane 2- methyl-4-pentanone methyl-isobutylketone 4- methyl-pentan-2-one methylisobutylketone 4- methylpentan-2-one 2- methylpropyl methyl ketone mibk 2- pentanone, 4-methyl- iso propyl acetone Info: Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.) PubMed: The Japan Flavour and Fragrance Materials Association's (JFFMA) safety assessment of acetal food flavouring substances uniquely used in Japan. PubMed: Influence of manufacturing conditions and crop season on the formation of 4-mercapto-4-methyl-2-pentanone in Japanese green tea (sen-cha). PubMed: Changes in analytical and volatile compositions of red wines induced by pre-fermentation heat treatment of grapes. PubMed: Quantification of Polyfunctional Thiols in Wine by HS-SPME-GC-MS Following Extractive Alkylation. PubMed: Volatile compounds responsible for aroma of Jutrzenka liquer wine. PubMed: Hydrothermal conversion of bamboo: identification and distribution of the components in solid residue, water-soluble and acetone-soluble fractions. PubMed: A powerful methodological approach combining headspace solid phase microextraction, mass spectrometry and multivariate analysis for profiling the volatile metabolomic pattern of beer starting raw materials. PubMed: Influence of volatile thiols in the development of blackcurrant aroma in red wine. PubMed: Inhalation two-generation reproductive toxicity study of methyl isobutyl ketone in rats. PubMed: Developmental toxicity evaluation of inhaled methyl isobutyl ketone in Fischer 344 rats and CD-1 mice. PubMed: Color, lipid oxidation, sensory quality, and aroma compounds of beef steaks displayed under different levels of oxygen in a modified atmosphere package. PubMed: Sensory and chemical characterisation of the aroma of Prieto Picudo rosé wines: the differential role of autochthonous yeast strains on aroma profiles. PubMed: Determination of cadmium, copper, and lead in sodium chloride food salts by flame atomic absorption spectroscopy. PubMed: Determination of semduramicin in poultry feed additive, premixture and compound feed by liquid chromatography and UV spectrophotometric detection after post-column derivatisation. PubMed: Identification of potent odorants in Japanese green tea (Sen-cha). PubMed: Screening method for determination of high levels of cadmium, lead, and copper in foods by polarized Zeeman atomic absorption spectrometry using discrete nebulization technique. PubMed: New factor characterizing the in-mouth release of odorants (volatile thiols): compositional changes in odorants exhaled from the human nose during drinking. PubMed: Cobalt content of foods and diets in a Spanish population (short communication). PubMed: Atomic absorption spectrophotometric method for determination of polydimethylsiloxane residues in pineapple juice: collaborative study. PubMed: Aroma composition changes in early season grapefruit juice produced from thermal concentration. PubMed: Occurrence of polyfunctional thiols in fresh lager beers. PubMed: Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues. PubMed: Identification of potent odorants in different green tea varieties using flavor dilution technique. PubMed: Determination of tin, vanadium, iron, and molybdenum in various matrices by atomic absorption spectrometry using a simultaneous liquid-liquid extraction procedure. PubMed: Determination of tin in canned fruits and vegetables by atomic absorption spectrometry and liquid-liquid extraction. PubMed: Atomic absorption spectrophotometric determination of chromium in foods. PubMed: [Evaluation of heavy metal contamination of potatoes from various regions of Poland]. PubMed: Electrothermal atomic absorption spectrometric determination of selenium in foods and diets. PubMed: Identification and characterization of bacteria isolated under selective pressure of volatile organic compounds. PubMed: Quantitative evaluation of sensory irritating and neurobehavioural properties of aliphatic ketones in mice. PubMed: Multiple microbial activities for volatile organic compounds reduction by biofiltration.