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cocoa butenal
General Material Information
| Preferred name | cocoa butenal |
| Trivial Name | 2-Phenyl-2-butenal |
| Short Description | 2-phenyl-2-butenal |
| Formula | C10 H10 O |
| CAS Number | 4411-89-6 |
| FEMA Number | 3224 |
| Flavis Number | 5.062 |
| ECHA Number | 224-567-0 |
| FDA UNII | E8991Q8HSC |
| Nikkaji Number | J80.824E |
| MDL | MFCD00053158 |
| COE Number | 670 |
| xLogP3-AA | 2.20 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1474 2-phenyl-2-butenal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 4411-89-6 ; 2-PHENYL-2-BUTENAL |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 2-phenylbut-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4411-89-6 |
| Pubchem (cid): | 20446 |
| Pubchem (sid): | 134984333 |
| Pherobase: | View |
| Publications by US Patents | |
| 3,958,029 - Novel flavoring compositions and products comprising 2,5-dimethyl-3-thioisovaleryl furan | |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB31619 |
| FooDB: | FDB008257 |
| YMDB (Yeast Metabolome Database): | YMDB01440 |
| Export Tariff Code: | 2912.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 146.18890380859 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.579 to 8.629 |
| Refractive Index | 1.558 to 1.564 @ 20 °C |
| Vapor Pressure | 0.006 mmHg @ 25 °C |
| Vapor Density | 5 |
| Flash Point TCC Value | 105.56 °C TCC |
| logP (o/w) | 2.319 est |
| Solubility | |
| alcohol | Yes |
| water, 752.8 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Musty | |
| sweet, narcissus, cortex, beany, honey, cocoa, nutty, radish, musty, floral, powdery | |
| Odor strength | medium |
| Substantivity | > 64 hour(s) at 100.00 % |
| Luebke, William tgsc, (2009) | At 100.00 %. sweet narcissus cortex beany honey cocoa nutty radish |
| Mosciano, Gerard P&F 21, No. 5, 49, (1996) | Musty, floral, honey, powdery and cocoa |
| Flavor Type: Green | |
| green, vegetable, floral, cocoa, nutty | |
| Mosciano, Gerard P&F 21, No. 5, 49, (1996) | At 10.00 ppm. Green, vegetative, floral, cocoa and nutty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Coffee , Filbert , Honey , Peanut |
| Flavoring purposes | Bread , Chocolate cocoa , Pork , Potato chip |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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 | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 2.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| 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: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 216: alpha,beta-Unsaturated aldehydes from chemical subgroup 3.3 of FGE.19: 2-Phenyl-2-alkenals[1] View page or View pdf |
| List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 216, Revision 1 (FGE.216Rev1). Consideration of genotoxic potential for a,ß-unsaturated 2-Phenyl -2-Alkenals from Subgroup 3.3 of FGE.19 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4411-89-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :20446 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-phenylbut-2-enal |
| Chemidplus:0004411896 |