methyl isobutyrate
isobutyric acid, methyl ester
Identification
| Name | methyl isobutyrate |
| IUPAC | methyl 2-methylpropanoate |
| CAS Number | 547-63-7 |
| EINECS | 208-929-5 |
| FDA UNII | EM286QL922 |
| Molecular Formula | C5 H10 O2 |
| Molecular Weight | 102.13310000 |
| MDL Number | MFCD00008914 |
| Nikkaji Number | J24.699I |
| Beilstein | 1740720 |
| CoE Number | 287 |
Regulatory
| JECFA Food Flavoring | 185 methyl isobutyrate |
| DG SANTE Food Flavourings | 09.412 methyl isobutyrate |
| FEMA Number | 2694 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 547-63-7 ; METHYL ISOBUTYRATE |
| 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 | No |
| Specific Gravity | 0.88900 to 0.89300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.406 to 7.439 |
| Refractive Index | 1.38200 to 1.38500 @ 20.00 °C. |
| Melting Point | -85.00 to -84.00 °C. @ 760.00 mm Hg |
| Boiling Point | 91.00 to 93.00 °C. @ 760.00 mm Hg, 38.00 to 39.00 °C. @ 100.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 50.410000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.5 ( Air = 1 ) |
| Flash Point | 38.00 °F. TCC ( 3.33 °C. ) |
| logP (o/w) | 1.139 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. Etherial, diffusive, fruity, sweet and tutti-frutti Fruity, Floral
|
| Taste Description | at 35.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 16000 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-mouse LC50 25500 mg/m3/2H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for methyl isobutyrate usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 20.00 (μg/capita/day) |
| baked goods | 48.00000 |
| 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 | 48.00000 |
| 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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