allyl isovalerate
2-propenyl 3-methylbutanoate
Identification
| Name | allyl isovalerate |
| IUPAC | prop-2-enyl 3-methylbutanoate |
| CAS Number | 2835-39-4 |
| EINECS | 220-609-7 |
| FDA UNII | 3551Z86V7T |
| Molecular Formula | C8 H14 O2 |
| Molecular Weight | 142.19798000 |
| MDL Number | MFCD00048350 |
| Nikkaji Number | J36.953E |
| Beilstein | 1750520 |
| CoE Number | 2098 |
Regulatory
| JECFA Food Flavoring | 7 allyl isovalerate |
| DG SANTE Food Flavourings | 09.489 allyl isovalerate |
| FEMA Number | 2045 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2835-39-4 ; ALLYL ISOVALERATE |
| 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 | 98.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.87900 to 0.88400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.314 to 7.356 |
| Refractive Index | 1.41300 to 1.41800 @ 20.00 °C. |
| Boiling Point | 161.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 1.949000 mmHg @ 25.00 °C. (est) |
| Flash Point | 142.00 °F. TCC ( 61.11 °C. ) |
| logP (o/w) | 2.462 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. Sweet, slightly pungent, fruity, banana, apple and pineapple-like apple; cherry; wine-like; fruity
|
| Taste Description |
at 5.00 ppm. sweet fruity apple banana pineapple bubble gum
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 1 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 230 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 560 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 |
| IFRA Purity Specification | < 0.1% free allyl alcohol |
| Recommendation for allyl isovalerate usage levels up to | 3.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.06 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.19 (μg/capita/day) |
| Structure Class | II |
| baked goods | 15.00000 |
| 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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