cocoa butenal
2-phenyl-2-butenal
Identification
| Name | cocoa butenal |
| IUPAC | 2-phenylbut-2-enal |
| CAS Number | 4411-89-6 |
| EINECS | 224-567-0 |
| FDA UNII | E8991Q8HSC |
| Molecular Formula | C10 H10 O |
| Molecular Weight | 146.18890000 |
| MDL Number | MFCD00053158 |
| Nikkaji Number | J80.824E |
| CoE Number | 670 |
Regulatory
| JECFA Food Flavoring | 1474 2-phenyl-2-butenal |
| DG SANTE Food Flavourings | 05.062 2-phenylcrotonaldehyde |
| FEMA Number | 3224 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4411-89-6 ; 2-PHENYL-2-BUTENAL |
Physical Properties
| Appearance | yellow clear liquid (est) |
| Assay | 97.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.03100 to 1.03700 @ 25.00 °C. |
| Pounds per Gallon - est. | 8.579 to 8.629 |
| Refractive Index | 1.55800 to 1.56400 @ 20.00 °C. |
| Boiling Point | 84.00 °C. @ 0.10 mm Hg, 177.00 °C. @ 15.00 mm Hg |
| Vapor Pressure | 0.006000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.0 ( Air = 1 ) |
| Flash Point | 222.00 °F. TCC ( 105.56 °C. ) |
| logP (o/w) | 2.319 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | > 64 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Musty, floral, honey, powdery and cocoa roast/fried meat; chocolate COCOA, FILBERT, PEANUT, CHIPS
|
| Odor sample from | R C Treatt and Co Ltd |
| Taste Description | at 10.00 ppm. |
Safety Information
| Preferred SDS | View |
| 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 cocoa butenal usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.70 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.07 (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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