3-phenyl propyl hexanoate
3-phenylpropyl hexanoate
Identification
| Name | 3-phenyl propyl hexanoate |
| IUPAC | hexyl 3-phenylpropanoate |
| CAS Number | 6281-40-9 |
| EINECS | 228-490-3 |
| FDA UNII | Y50D757537 |
| Molecular Formula | C15 H22 O2 |
| Molecular Weight | 234.33874000 |
| Nikkaji Number | J184.061D |
| CoE Number | 321 |
| XlogP3 | 4.70 (est) |
Regulatory
| JECFA Food Flavoring | 642 3-phenylpropyl hexanoate |
| DG SANTE Food Flavourings | 09.071 3-phenylpropyl hexanoate |
| FEMA Number | 2896 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 6281-40-9 ; 3-PHENYLPROPYL 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 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96300 to 1.01000 @ 25.00 °C. |
| Pounds per Gallon - est. | 8.013 to 8.404 |
| Boiling Point | 292.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.000417 mmHg @ 25.00 °C. (est) |
| Flash Point | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w) | 4.965 (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 | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 100.00 %. |
| Taste Description | fruity peach pineapple |
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 3-phenyl propyl hexanoate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.24 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.40 (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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Potential Uses
Natural Occurrence
Synonyms
hexanoic acid 3-phenyl propyl ester
hexyl 3-phenylpropanoate
hydrocinnamyl caproate
hydrocinnamyl hexanoate
3-
phenyl propyl caproate
3-
phenyl propyl capronate
3-
phenylpropyl caproate
3-
phenylpropyl capronate
3-
phenylpropyl hexanoate
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