3-phenyl propionaldehyde
3-phenylpropionaldehyde
Identification
| Name | 3-phenyl propionaldehyde |
| IUPAC | 3-phenylpropanal |
| CAS Number | 104-53-0 |
| EINECS | 203-211-8 |
| FDA UNII | LP1E86N30T |
| Molecular Formula | C9 H10 O |
| Molecular Weight | 134.17790000 |
| MDL Number | MFCD00007021 |
| Nikkaji Number | J36.950K |
| Beilstein | 1071910 |
| CoE Number | 2013 |
| XlogP3 | 1.30 (est) |
Regulatory
| JECFA Food Flavoring | 645 3-phenylpropionaldehyde |
| DG SANTE Food Flavourings | 05.080 3-phenylpropanal |
| FEMA Number | 2887 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 104-53-0 ; 3-PHENYLPROPIONALDEHYDE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear viscous liquid (est) |
| Assay | 95.00 to 100.00 |
| Equivalence Factor for Assay | 69.09 |
| Halogens | Chlorine free |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.00700 to 1.01500 @ 25.00 °C., 1.00800 to 1.01600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.379 to 8.446 |
| Pounds per Gallon - est. | 8.397 to 8.464 |
| Refractive Index | 1.51900 to 1.52300 @ 20.00 °C., 1.51800 to 1.52800 @ 20.00 °C. |
| Melting Point | 47.00 °C. @ 760.00 mm Hg |
| Boiling Point | 97.00 to 98.00 °C. @ 12.00 mm Hg, 104.00 to 105.00 °C. @ 13.00 mm Hg |
| Acid Value | 10.00 max. KOH/g |
| Vapor Pressure | 0.131000 mmHg @ 25.00 °C. (est) |
| Flash Point | 203.00 °F. TCC ( 95.00 °C. ) |
| logP (o/w) | 1.780 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | alkalis |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 244 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Green, aldehydic, floral and melon almond; cherry; chocolate; cinnamon; clove; honey; hyacinth; musty; herbaceous; earthy; peach; plum; strawberry; sweet; meaty; spicy; vegetable fresh cortex green leaf foliage balsam storax spicy cherry plum green-aldehyde floral balsamic oily-earthy warm herb Fresh Cortex Green Leaf Green Melon Fruity
|
| Odor sample from | Berje Inc. |
| Taste Description |
at 20.00 ppm. green melon fruity citrus
|
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 > 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', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05219']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 3-phenyl propionaldehyde usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 16.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 19.00 (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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