prenyl hexanoate
prenyl caproate
Identification
| Name | prenyl hexanoate |
| IUPAC | 3-methylbut-2-enyl hexanoate |
| CAS Number | 76649-22-4 |
| EINECS | 278-515-7 |
| FDA UNII | 44Y3T9J41Z |
| Molecular Formula | C11 H20 O2 |
| Molecular Weight | 184.27880000 |
| Nikkaji Number | J319.349G |
Regulatory
| JECFA Food Flavoring | 1829 prenyl caproate |
| FEMA Number | 4204 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 76649-22-4 ; PRENYL CAPROATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88000 to 0.88800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.322 to 7.389 |
| Refractive Index | 1.43400 to 1.44200 @ 20.00 °C. |
| Boiling Point | 219.00 to 221.00 °C. @ 25.00 mm Hg |
| Vapor Pressure | 0.049000 mmHg @ 25.00 °C. (est) |
| Flash Point | 135.00 °F. TCC ( 57.22 °C. ) |
| logP (o/w) | 4.055 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 100.00 %. A mild green fruity odor
|
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 prenyl hexanoate usage levels up to | 8.0000 % in the fragrance concentrate. |
| baked goods | 10.00000 |
| beverages(nonalcoholic) | 0.30000 |
| beverages(alcoholic) | 1.50000 |
| breakfast cereal | 0.30000 |
| cheese | - |
| chewing gum | 15.00000 |
| condiments / relishes | - |
| confectionery froastings | 1.50000 |
| egg products | 1.50000 |
| fats / oils | 1.50000 |
| fish products | - |
| frozen dairy | 6.00000 |
| fruit ices | 3.00000 |
| gelatins / puddings | 3.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 5.00000 |
| imitation dairy | - |
| instant coffee / tea | 0.60000 |
| jams / jellies | 3.00000 |
| meat products | - |
| milk products | 0.60000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 1.50000 |
| snack foods | - |
| soft candy | 3.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
hexanoic acid 3-methyl-2-butenyl ester
hexanoic acid, 3-methyl-2-butenyl ester
3-
methyl but-2-enyl hexanoate
3-
methyl-2-butenyl hexanoate
3-
methylbut-2-enyl hexanoate
prenyl caproate
vertenol caproate (Grau)
vertenol-caproate (Grau)
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