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tiglaldehyde
General Material Information
| Preferred name | tiglaldehyde |
| Trivial Name | 2-Methyl-2-butenal |
| Short Description | 2-methyl-2-butenal |
| Formula | C5 H8 O |
| CAS Number | 1115-11-3 |
| FEMA Number | 3407 |
| FDA UNII | Search |
| Beilstein Number | 1698207 |
| MDL | MFCD00006977 |
| COE Number | 2281 |
| xLogP3-AA | 0.90 (est) |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 497-03-0 ; 2-METHYL-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-methylbut-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 10336 |
| Pubchem (sid): | 134979446 |
| Flavornet: | 1115-11-3 |
| Pherobase: | View |
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 |
| HMDB (The Human Metabolome Database): | HMDB31512 |
| FooDB: | FDB008133 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| BOC Sciences | CJ Latta & Associates |
| Penta International | Sigma-Aldrich |
| Tianjin Danjun International | Penta International Corporation |
| Tianjin Danjun International Trade Co., LTD. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 84.117958068848 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Boiling Point | 116 to 118°C @ 752 mm Hg |
| Boiling Point | 63 to 65°C @ 119 mm Hg |
| Vapor Pressure | 17.107 mmHg @ 25 °C |
| Flash Point TCC Value | 18.33 °C TCC |
| logP (o/w) | 1.19 est |
| Solubility | |
| alcohol | Yes |
| water, 1.342e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| pungent, green, ethereal, nutty, anisic, fruity, sharp | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 16 hour(s) at 100.00 % |
| General comment | At 1.00 % in dipropylene glycol. pungent green ethereal nutty anisic fruity |
| Mosciano, Gerard P&F 14, No. 6, 47, (1989) | Diffusive, pungent, green, ethareal, sharp penetrating, nutty and anisic |
| Flavor Type: Fruity | |
| fresh, fruity, green, pulpy, almond, nutty | |
| Mosciano, Gerard P&F 14, No. 6, 47, (1989) | At 50.00 ppm. Fresh, fruity, green, pulpy and almond nutty |
| General comment | Fresh fruity green pulp almond nut |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Almond , Cherry , Coffee , Grape , Green , Vanilla |
| Flavoring purposes | Cheese , Chicken , Fruit tropical fruit , Tomato |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 11 - Highly flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 tiglaldehyde usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| 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: 7 | |||
| Click here to view publication 7 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 5.00000 | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 5.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | 5.00000 | |
| gelatins / puddings: | - | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | 2.50000 | |
| hard candy: | - | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 2.50000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 2.50000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1] View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10336 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1989 |
| WGK Germany:3 |
| 2-methylbut-2-enal |
| Chemidplus:0001115113 |