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isobutyl methyl ketone
General Material Information
| Preferred name | isobutyl methyl ketone |
| Trivial Name | Methyl isobutyl ketone |
| Short Description | 4-methyl-2-pentanone |
| Formula | C6 H12 O |
| CAS Number | 108-10-1 |
| Deleted CAS Number | 1338234-91-5 |
| FEMA Number | 2731 |
| Flavis Number | 7.017 |
| ECHA Number | 203-550-1 |
| FDA UNII | U5T7B88CNP |
| Nikkaji Number | J2.861D |
| Beilstein Number | 0605399 |
| MDL | MFCD00008938 |
| COE Number | 151 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 301 4-methyl-2-pentanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 108-10-1 ; METHYL ISOBUTYL KETONE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 4-methylpentan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 108-10-1 |
| Pubchem (cid): | 7909 |
| Pubchem (sid): | 134972890 |
| Pherobase: | View |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C19263 |
| HMDB (The Human Metabolome Database): | HMDB02939 |
| FooDB: | FDB008174 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 100.16084289551 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.624 to 6.648 |
| Refractive Index | 1.391 to 1.396 @ 20 °C |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 19.9 mmHg @ 25 °C |
| Vapor Density | 3.5 |
| Flash Point TCC Value | 13.33 °C TCC |
| logP (o/w) | 1.31 |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 1.90E+04 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Green | |
| sharp, solvent, green, herbal, fruity, dairy, spicy | |
| General comment | At 10.00 % in dipropylene glycol. sharp solvent green herbal fruity dairy spice |
| Mosciano, Gerard P&F 21, No. 1, 33, (1996) | Sharp solvent-like with green, herbal, fruity and dairy nuances |
| Flavor Type: Green | |
| green, vegetable, herbal, fruity, dairy | |
| Mosciano, Gerard P&F 21, No. 1, 33, (1996) | Green, vegetative, herbal, fruity and dairy nuances |
| Used in spice, apple, whiskey, fruit and ripe banana flavors. | Green |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple, Banana, Cherry, Cream, Fruit, Grape, Green, Herbal, Mint, Orange, Pear, Pineapple, Spice |
| Flavoring purposes | Dairy, Whiskey |
| Cosmetic purposes | Denaturants, Perfuming agents, Solvents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 11 - Highly flammable. R 20 - Harmful by inhalation. R 36/37 - Irritating to eyes and respiratory system. R 66 - Repeated exposure may cause skin dryness or cracking. S 02 - Keep out of the reach of children. S 09 - Keep container in a well-ventilated place. S 16 - Keep away from sources of ignition - No Smoking. S 29 - Do not empty into drains. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 2080 mg/kg (Smyth et al., 1951) oral-mouse LD50 [sex: M] 2670 mg/kg (Tanii et al., 1986) oral-mouse LD50 1200 mg/kg (McOmie & Anderson, 1949a) intraperitoneal-guinea pig LD50 800 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4748, 1982. oral-guinea pig LD50 1600 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4748, 1982. unreported-mammal (species unspecified) LD50 1396 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. intraperitoneal-mouse LD50 268 mg/kg Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961. oral-mouse LD50 1900 mg/kg National Technical Information Service. Vol. OTS0535383 intraperitoneal-rat LD50 400 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4748, 1982. oral-rat LD50 2080 mg/kg Union Carbide Data Sheet. Vol. 4/25/1958 | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 3000 mg/kg National Technical Information Service. Vol. OTS0535383 | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 100000 mg/m3 National Technical Information Service. Vol. OTS0535383 inhalation-mouse LC50 23300 mg/m3 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(11), Pg. 52, 1973. inhalation-guinea pig LCLo 68900 mg/m3/3H LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES CARDIAC: PULSE RATE SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE National Technical Information Service. Vol. OTS0535383 inhalation-man TCLo 2290 mg/m3 SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION National Technical Information Service. Vol. OTS0535383 | |
Safety in use information
| Category: | |||
| cosmetic, flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for isobutyl methyl ketone usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 6.10 (μg/capita/day) | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 6.30000 | |
| beverages(nonalcoholic): | - | 6.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 6.30000 | |
| fruit ices: | - | 6.30000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 6.30000 | |
| 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: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| EPI System: View |
| EPA-Iris:IRIS |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):108-10-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7909 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1245 |
| WGK Germany:1 |
| 4-methylpentan-2-one |
| Chemidplus:0000108101 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:108-10-1 |