isobutyl 2-butenoate
isobutyl crotonate
Identification
| Name | isobutyl 2-butenoate |
| IUPAC | 2-methylpropyl but-2-enoate |
| CAS Number | 589-66-2 |
| EINECS | 209-658-5 |
| FDA UNII | Search |
| Molecular Formula | C8 H14 O2 |
| Molecular Weight | 142.19798000 |
| MDL Number | MFCD00036651 |
| CoE Number | 10706 |
Regulatory
| JECFA Food Flavoring | 1206 isobutyl 2-butenoate |
| DG SANTE Food Flavourings | 09.273 isobutyl crotonate |
| FEMA Number | 3432 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 589-66-2 ; ISOBUTYL 2-BUTENOATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.88300 to 0.89100 @ 25.00 °C., 0.88000 to 0.90000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.347 to 7.414 |
| Pounds per Gallon - est. | 7.322 to 7.489 |
| Refractive Index | 1.42600 to 1.43000 @ 20.00 °C. |
| Boiling Point | 171.00 °C. @ 760.00 mm Hg, 70.00 °C. @ 15.00 mm Hg |
| Vapor Pressure | 1.788000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.6 ( Air = 1 ) |
| Flash Point | 131.00 °F. TCC ( 55.00 °C. ) |
| logP (o/w) | 2.669 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 137 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Woody, fruity, brown, ripe and alcoholic-like with cognac and rum nuances A fruity, rum-like character
|
| Odor sample from | Florida Chemical Company |
| Taste Description |
Sweet, green, chemical and alcoholic-like with licorice, tropical and fruity nuances Sweet, fruity, tropical, candy pineapple
|
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 isobutyl 2-butenoate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.46 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 45.00 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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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