isobutyl isobutyrate
isobutyric acid, isobutyl ester
Identification
| Name | isobutyl isobutyrate |
| IUPAC | 2-methylpropyl 2-methylpropanoate |
| CAS Number | 97-85-8 |
| EINECS | 202-612-5 |
| FDA UNII | Y495J99R5D |
| Molecular Formula | C8 H16 O2 |
| Molecular Weight | 144.21392000 |
| MDL Number | MFCD00008916 |
| Nikkaji Number | J3.223I |
| Beilstein | 1701355 |
| CoE Number | 292 |
Regulatory
| JECFA Food Flavoring | 194 isobutyl isobutyrate |
| DG SANTE Food Flavourings | 09.417 isobutyl isobutyrate |
| FEMA Number | 2189 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 97-85-8 ; ISOBUTYL 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 | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.84500 to 0.86500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.031 to 7.198 |
| Refractive Index | 1.37200 to 1.41700 @ 20.00 °C. |
| Melting Point | -81.00 to -80.00 °C. @ 760.00 mm Hg |
| Boiling Point | 148.60 °C. @ 760.00 mm Hg, 68.00 to 69.00 °C. @ 50.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 4.330000 mmHg @ 25.00 °C. |
| Vapor Density | 4.9 ( Air = 1 ) |
| Flash Point | 99.00 °F. TCC ( 37.22 °C. ) |
| logP (o/w) | 2.511 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 100.00 %. Ethereal, Fruity, Grape Skin strongly fruity, banana-like
|
| Taste Description |
fruity pineapple tropical fruit ripe fruit strongly fruity
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 12800 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 8600 mg/kg |
| Inhalation Toxicity | inhalation-rat LC50 5000 ppm/6H |
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 isobutyl isobutyrate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 56.00 (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 | 3.30000 |
| 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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