3-phenyl propyl isovalerate
3-phenylpropyl isovalerate
Identification
| Name | 3-phenyl propyl isovalerate |
| IUPAC | 3-phenylpropyl 3-methylbutanoate |
| CAS Number | 5452-07-3 |
| EINECS | 226-692-6 |
| FDA UNII | 9UT5Q9TKW9 |
| Molecular Formula | C14 H20 O2 |
| Molecular Weight | 220.31180000 |
| MDL Number | MFCD00213800 |
| Nikkaji Number | J183.052J |
| CoE Number | 462 |
| XlogP3 | 3.80 (est) |
Regulatory
| JECFA Food Flavoring | 641 3-phenylpropyl isovalerate |
| DG SANTE Food Flavourings | 09.467 3-phenylpropyl isovalerate |
| FEMA Number | 2899 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5452-07-3 ; 3-PHENYLPROPYL ISOVALERATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.98000 @ 25.00 °C. |
| Boiling Point | 280.00 to 285.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 4.219 (est) |
| Soluble in | alcohol |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 100.00 %. |
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 isovalerate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (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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