3-phenyl propyl propionate
3-phenylpropyl propionate
Identification
| Name | 3-phenyl propyl propionate |
| IUPAC | 3-phenylpropyl propanoate |
| CAS Number | 122-74-7 |
| EINECS | 204-571-9 |
| FDA UNII | C4756E9F55 |
| Molecular Formula | C12 H16 O2 |
| Molecular Weight | 192.25792000 |
| MDL Number | MFCD00027011 |
| Nikkaji Number | J69.784B |
| Beilstein | 3272005 |
| CoE Number | 419 |
| XlogP3 | 3.00 (est) |
Regulatory
| JECFA Food Flavoring | 639 3-phenylpropyl propionate |
| DG SANTE Food Flavourings | 09.138 3-phenylpropyl propionate |
| FEMA Number | 2897 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 122-74-7 ; 3-PHENYLPROPYL PROPIONATE |
| 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 | No |
| Specific Gravity | 0.99600 to 1.00400 @ 20.00 °C. |
| Pounds per Gallon - est. | 8.297 to 8.364 |
| Boiling Point | 279.00 to 280.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 3.356 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
| Odor sample from | International Flavors & Fragrances Inc. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 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 propionate usage levels up to | 20.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.30 (μg/capita/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 0.80000 |
| 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
benzene propanol propanoate
benzenepropanol, propanoate
hydrocinnamyl propionate
3-
phenyl propyl propanoate
phenyl propyl propionate
3-
phenyl propyl propionate
beta-
phenyl propyl propionate
3-
phenyl-1-propanol propionate
3-
phenylpropyl propanoate
3-
phenylpropyl propionate
1-
propanol, 3-phenyl-, propionate
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