allyl octanoate
allyl caprylate
Identification
| Name | allyl octanoate |
| IUPAC | prop-2-enyl octanoate |
| CAS Number | 4230-97-1 |
| EINECS | 224-184-9 |
| FDA UNII | 17ZH17CKME |
| Molecular Formula | C11 H20 O2 |
| Molecular Weight | 184.27880000 |
| MDL Number | MFCD00038343 |
| Nikkaji Number | J34.612H |
| Beilstein | 1768774 |
| CoE Number | 400 |
Regulatory
| JECFA Food Flavoring | 5 allyl octanoate |
| DG SANTE Food Flavourings | 09.119 allyl octanoate |
| FEMA Number | 2037 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4230-97-1 ; ALLYL OCTANOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87200 to 0.88000 @ 25.00 °C., 0.87600 to 0.88400 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.256 to 7.322 |
| Pounds per Gallon - est. | 7.298 to 7.364 |
| Refractive Index | 1.43200 to 1.43400 @ 20.00 °C., 1.42500 to 1.43300 @ 20.00 °C. |
| Boiling Point | 87.00 to 88.00 °C. @ 5.50 mm Hg, 222.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.054000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 6.3 ( Air = 1 ) |
| Flash Point | 174.00 °F. TCC ( 78.89 °C. ) |
| logP (o/w) | 4.147 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 8 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Fatty and waxy, sweet, fruity pineapple-like with a green tropical nuance Fatty, Fruity, Green, Sweet, Waxy FRUITY,PINE APPLE,ALDEHYDIC,POTENT
|
| Odor sample from | FRUTAROM USA INC, |
| Taste Description |
fatty fruity green earthy tropical watercress greasy dried fruit at 10.00 ppm.
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 570 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 620 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 octanoate usage levels up to | 6.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.01 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 1.30 (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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