isopropyl isobutyrate
isobutyric acid, isopropyl ester
Identification
| Name | isopropyl isobutyrate |
| IUPAC | propan-2-yl 2-methylpropanoate |
| CAS Number | 617-50-5 |
| EINECS | 210-517-5 |
| FDA UNII | IB2671N3UT |
| Molecular Formula | C7 H14 O2 |
| Molecular Weight | 130.18698000 |
| MDL Number | MFCD00059365 |
| Nikkaji Number | J45.635G |
| CoE Number | 290 |
Regulatory
| JECFA Food Flavoring | 309 isopropyl isobutyrate |
| DG SANTE Food Flavourings | 09.415 isopropyl isobutyrate |
| FEMA Number | 2937 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 617-50-5 ; ISOPROPYL 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 | 0.84800 to 0.85100 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.064 to 7.089 |
| Refractive Index | 1.38700 to 1.38900 @ 20.00 °C. |
| Boiling Point | 120.00 to 121.00 °C. @ 760.00 mm Hg, 47.00 to 48.00 °C. @ 50.00 mm Hg |
| Vapor Pressure | 13.966000 mmHg @ 25.00 °C. (est) |
| Flash Point | 62.00 °F. TCC ( 16.67 °C. ) |
| logP (o/w) | 2.002 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 100.00 %. INTENSE, FRUITY, ETHER-LIKE
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
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 isopropyl isobutyrate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.49 (μg/capita/day) |
| baked goods | 60.00000 |
| beverages(nonalcoholic) | 12.00000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 18.00000 |
| fruit ices | 18.00000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 58.00000 |
| 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 | - |
Penta International Corporation
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Synerzine, Inc.
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Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
iso
butyric acid isopropyl ester
iso
butyric acid, isopropyl ester
1-
methyl ethyl 2-methyl propanoate
2-
methyl propanoic acid 1-methyl ethyl ester
1-
methylethyl 2-methylpropanoate
2-
methylpropanoic acid 1-methylethyl ester
propan-2-yl 2-methylpropanoate
iso
propyl 2-methyl propanoate
iso
propyl 2-methylpropanoate
iso
propyl iso butyrate
iso-
propyl-iso-butyrate
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