3-phenyl propyl formate
3-phenylpropyl formate
Identification
| Name | 3-phenyl propyl formate |
| IUPAC | 3-phenylpropyl formate |
| CAS Number | 104-64-3 |
| EINECS | 203-222-8 |
| FDA UNII | 6R8500G08Y |
| Molecular Formula | C10 H12 O2 |
| Molecular Weight | 164.20404000 |
| Nikkaji Number | J35.484H |
| Beilstein | 2501915 |
| CoE Number | 351 |
| XlogP3 | 2.90 (est) |
Regulatory
| JECFA Food Flavoring | 637 3-phenylpropyl formate |
| DG SANTE Food Flavourings | 09.084 3-phenylpropyl formate |
| FEMA Number | 2895 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 104-64-3 ; 3-PHENYLPROPYL FORMATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.077000 mmHg @ 25.00 °C. (est) |
| Flash Point | 214.00 °F. TCC ( 101.11 °C. ) |
| logP (o/w) | 2.387 (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 %. |
Safety Information
| European information | Most important hazard(s): |
| Human Experience | 8 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 4090 mg/kg |
| 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 formate usage levels up to | 3.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.80 (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 | 0.90000 |
| fruit ices | 0.90000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 3.00000 |
| 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 formate
benzenepropanol formate
benzenepropanol, formate
hydrocinnamyl formate
hydrocinnamyl methanoate
phenyl propyl formate
3-
phenyl propyl formate
beta-
phenyl propyl formate
3-
phenyl propyl methanoate
3-
phenyl-1-propyl formate
1-
phenyl-3-formyloxypropane
3-
phenylpropyl formate
3-
phenylpropyl methanoate
1-
propanol, 3-phenyl-, formate
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