cinnamyl isobutyrate
3-phenyl-2-propen-1-yl isobutyrate
Identification
| Name | cinnamyl isobutyrate |
| IUPAC | [(E)-3-phenylprop-2-enyl] 2-methylpropanoate |
| EINECS | 203-126-6 |
| FDA UNII | Search |
| Molecular Formula | C13 H16 O2 |
| Molecular Weight | 204.26892000 |
| MDL Number | MFCD00048316 |
| Beilstein | 3130772 |
| CoE Number | 496 |
Regulatory
| JECFA Food Flavoring | 653 cinnamyl isobutyrate |
| DG SANTE Food Flavourings | 09.470 cinnamyl isobutyrate |
| FEMA Number | 2297 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 103-59-3 ; CINNAMYL ISOBUTYRATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.00600 to 1.00900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.371 to 8.396 |
| Refractive Index | 1.52300 to 1.52800 @ 20.00 °C. |
| Boiling Point | 295.00 to 297.00 °C. @ 760.00 mm Hg |
| Acid Value | 3.00 max. KOH/g |
| Vapor Pressure | 0.002000 mmHg @ 20.00 °C. |
| Vapor Density | 7.0 ( Air = 1 ) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 3.504 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 188 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, fruity, pineapple, spicy, slightly floral Sweet, Balsamic, Fruity SWEET, BALSAMIC, FRUITY Sweet, Fruity, Almond, Spicy, Cinnamyl, Tropical
|
| Odor sample from | Elan Inc. |
| Taste Description |
at 25.00 ppm. SWEET, REMINISCENT APPLE AND BANANA
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 |
| maximum skin levels for fine fragrances | 0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2001) |
| Recommendation for cinnamyl isobutyrate usage levels up to | 3.0000 % in the fragrance concentrate. |
| use level in formulae for use in cosmetics | 0.0190 % |
| Dermal Systemic Exposure in Cosmetic Products | 0.0005 mg/kg/day (IFRA, 2001) |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 11.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 22.00 (μg/capita/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 | 0.02000 |
| 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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