phenethyl hexanoate
phenylethyl caproate
Identification
| Name | phenethyl hexanoate |
| IUPAC | 2-phenylethyl hexanoate |
| CAS Number | 6290-37-5 |
| EINECS | 228-538-3 |
| FDA UNII | X7R57M68KR |
| Molecular Formula | C14 H20 O2 |
| Molecular Weight | 220.31180000 |
| MDL Number | MFCD00027279 |
| Nikkaji Number | J155.068C |
| CoE Number | 10882 |
| XlogP3 | 4.20 (est) |
Regulatory
| JECFA Food Flavoring | 995 phenethyl hexanoate |
| DG SANTE Food Flavourings | 09.261 2-phenethyl hexanoate |
| FEMA Number | 3221 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 6290-37-5 ; PHENETHYL HEXANOATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97100 @ 25.00 °C. |
| Boiling Point | 263.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 4.336 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 100.00 %. Sweet, honey, floral, waxy with woody and sweaty nuances Fruity-green, rosy, fresh pineapple-like, banana Banana, Pineapple, Fruity, Green, Rose Fruity green, rosy, fresh pineapple-like, banana
|
| Odor sample from | Kingchem Laboratories Inc. |
| Taste Description | at 50.00 ppm. |
Safety Information
| Preferred SDS | View |
| 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 phenethyl hexanoate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 12.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 2.00 (μg/capita/day) |
| Structure Class | I |
| 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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