styralyl isobutyrate
alpha-methylbenzyl isobutyrate
Identification
| Name | styralyl isobutyrate |
| IUPAC | 1-phenylethyl 2-methylpropanoate |
| CAS Number | 7775-39-5 |
| EINECS | 231-894-2 |
| FDA UNII | K9REG8PIWP |
| Molecular Formula | C12 H16 O2 |
| Molecular Weight | 192.25792000 |
| Nikkaji Number | J183.040F |
| CoE Number | 2088 |
Regulatory
| JECFA Food Flavoring | 804 alpha-methylbenzyl isobutyrate |
| DG SANTE Food Flavourings | 09.486 1-phenethyl isobutyrate |
| FEMA Number | 2687 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 7775-39-5 ; ALPHA-METHYLBENZYL 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 | 98.00 to 100.00 |
| Additional Assay Information | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97700 to 0.98300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.130 to 8.180 |
| Refractive Index | 1.48000 to 1.48600 @ 20.00 °C. |
| Boiling Point | 242.00 to 243.00 °C. @ 760.00 mm Hg, 80.00 °C. @ 3.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.033000 mmHg @ 25.00 °C. (est) |
| Flash Point | 196.00 °F. TCC ( 91.11 °C. ) |
| logP (o/w) | 3.155 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
| Taste Description | Powerful floral, fruity, fleshy and woody notes |
Safety Information
| 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 styralyl isobutyrate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 24.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 1.00 (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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