allyl hexanoate
allyl caproate
Identification
| Name | allyl hexanoate |
| IUPAC | prop-2-enyl hexanoate |
| CAS Number | 123-68-2 |
| EINECS | 204-642-4 |
| FDA UNII | 3VH84A363D |
| Molecular Formula | C9 H16 O2 |
| Molecular Weight | 156.22492000 |
| MDL Number | MFCD00038339 |
| Nikkaji Number | J36.964K |
| Beilstein | 1761920 |
| CoE Number | 2181 |
Regulatory
| JECFA Food Flavoring | 3 allyl hexanoate |
| DG SANTE Food Flavourings | 09.244 allyl hexanoate |
| FEMA Number | 2032 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 123-68-2 ; ALLYL HEXANOATE |
| 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 | 99.00 to 99.90 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.88400 to 0.89000 @ 25.00 °C., 0.88400 to 0.89200 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.356 to 7.406 |
| Pounds per Gallon - est. | 7.364 to 7.431 |
| Refractive Index | 1.42200 to 1.42600 @ 20.00 °C. |
| Boiling Point | 185.00 °C. @ 760.00 mm Hg, 75.00 to 76.00 °C. @ 15.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.678000 mmHg @ 25.00 °C. (est) |
| Flash Point | 151.00 °F. TCC ( 66.00 °C. ) |
| logP (o/w) | 3.128 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | benzyl alcohol |
| Insoluble in | propylene glycol |
| Stability | stable in most media |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | astringents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | < 1 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Sweet, fruity, estry, juicy, caproate-like, pineapple A fruity, fatty, pineapple odor with rum nuances strong sweet, fruity, fatty, pineapple-like and odor nuances reminiscent of rum fatty, fruity, characteristic of fresh pineapple, rum FRUITY, PINEAPPLE, FATTY, RUM Sweet, Fruity-pineapple, juicy, fresh, Arak
|
| Odor sample from | Givaudan Corporation |
| Taste Description |
at 10.00 ppm. fruity pineapple-like, fruity, juicy, sweet, slightly peely
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 218 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 300 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 hexanoate usage levels up to | 6.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3583.80 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 820.00 (μg/capita/day) |
| Structure Class | II |
| 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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