3-phenyl propyl acetate
3-phenylpropyl acetate
Identification
| Name | 3-phenyl propyl acetate |
| IUPAC | 3-phenylpropyl acetate |
| CAS Number | 122-72-5 |
| EINECS | 204-569-8 |
| FDA UNII | AKW166708I |
| Molecular Formula | C11 H14 O2 |
| Molecular Weight | 178.23098000 |
| MDL Number | MFCD00026216 |
| Nikkaji Number | J5.534D |
| Beilstein | 0744307 |
| CoE Number | 222 |
| XlogP3 | 2.50 (est) |
Regulatory
| JECFA Food Flavoring | 638 3-phenylpropyl acetate |
| DG SANTE Food Flavourings | 09.032 3-phenylpropyl acetate |
| FEMA Number | 2890 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 122-72-5 ; 3-PHENYLPROPYL ACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.01200 to 1.01600 @ 25.00 °C., 1.01200 to 1.02000 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.421 to 8.454 |
| Pounds per Gallon - est. | 8.431 to 8.497 |
| Refractive Index | 1.49400 to 1.50000 @ 20.00 °C. |
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 2.847 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | cream |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 268 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Balsamic, spicy, cinnamic and fruity with honey and hay-like nuances
|
| Odor sample from | Givaudan Corporation |
| Taste Description | at 10.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 8 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 4700 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 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 |
| Recommendation for 3-phenyl propyl acetate usage levels up to | 15.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 35.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 9.00 (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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