isobutyl methyl ketone
4-methyl-2-pentanone
Identification
| Name | isobutyl methyl ketone |
| IUPAC | 4-methylpentan-2-one |
| CAS Number | 108-10-1 |
| EINECS | 203-550-1 |
| FDA UNII | U5T7B88CNP |
| Molecular Formula | C6 H12 O |
| Molecular Weight | 100.16084000 |
| MDL Number | MFCD00008938 |
| Nikkaji Number | J2.861D |
| Beilstein | 0605399 |
| CoE Number | 151 |
| XlogP3 | 1.30 (est) |
Regulatory
| JECFA Food Flavoring | 301 4-methyl-2-pentanone |
| DG SANTE Food Flavourings | 07.017 4-methylpentan-2-one |
| FEMA Number | 2731 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 108-10-1 ; METHYL ISOBUTYL KETONE |
| FDA Regulation | FDA 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
| CosIng | cosmetic data |
| Cosmetic Uses | denaturants |
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 SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 2080 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 3000 mg/kg |
| Inhalation Toxicity | inhalation-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
| Category | cosmetic, flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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) |
| 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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