allyl heptanoate
heptanoic acid, 2-propenyl ester
Identification
| Name | allyl heptanoate |
| IUPAC | prop-2-enyl heptanoate |
| CAS Number | 142-19-8 |
| EINECS | 205-527-1 |
| FDA UNII | AU4CYG9V68 |
| Molecular Formula | C10 H18 O2 |
| Molecular Weight | 170.25186000 |
| MDL Number | MFCD00038341 |
| Nikkaji Number | J36.956J |
| CoE Number | 369 |
Regulatory
| JECFA Food Flavoring | 4 allyl heptanoate |
| DG SANTE Food Flavourings | 09.097 allyl heptanoate |
| FEMA Number | 2031 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 142-19-8 ; ALLYL HEPTANOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.88000 to 0.88500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.322 to 7.364 |
| Refractive Index | 1.42600 to 1.43000 @ 20.00 °C. |
| Boiling Point | 210.00 to 212.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.160000 mmHg @ 25.00 °C. (est) |
| Flash Point | 180.00 °F. TCC ( 82.22 °C. ) |
| logP (o/w) | 3.637 (est) |
| Shelf Life | 24.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | soap |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, pineapple-like, fruity with a slight waxy ripe fermented note A fruity, sweet, banana with a heavy vinous quality strong, sweet-fruity tending towards pineapple with nuances reminiscent of camomile and banana Fruity-pineapple and banana,, sweet, waxy, cognac
|
| Odor sample from | Harrmann & Reimer Corporation |
| Taste Description |
banana at 10.00 ppm. fruity green, fruity, pineapple, pear banana
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 500 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 810 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 heptanoate usage levels up to | 4.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 12.92 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 28.00 (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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