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2-ethyl-4-methyl thiazole
2-ethyl-4-methyl thiazole is a sulfur-containing heterocyclic compound used as a flavor and fragrance agent with nutty, coffee, and meaty nuances.
General Material Description
2-ethyl-4-methyl thiazole is an organic heterocyclic compound characterized by a sulfur and nitrogen-containing thiazole ring with ethyl and methyl substituents at positions two and four, respectively. It is recognized for its distinctive aroma profile, which includes nutty, coffee, and meaty notes, contributing to its description as 'chocolate thiazole' or 'coffee thiazole'. The compound appears as a colorless to pale yellow liquid and is catalogued under CAS number 15679-12-6. It is naturally found in foods such as cooked beef, chicken, and coffee, and is commonly used as a flavor and fragrance agent to enhance nutty or roasted aromas in confectionery, beverages, and savory products. More technical chemical information is available through resources like the PubChem database. The compound's chemical formula is C6H9NS, with a molecular weight of 127.21 g/mol.
Occurrence, Applicability & Potential Uses
This compound occurs naturally in a variety of cooked and roasted foods, including beef, chicken, pork, coffee, raspberry fruit, and roasted sesame seed oil. It imparts characteristic nutty, coffee-like, and savory aromas and flavors, making it valuable for flavor enhancement in the food industry. 2-ethyl-4-methyl thiazole is applied as a flavor and fragrance agent in sectors such as confectionery, baked goods, dairy, and beverage formulations. Its usage aligns with flavoring regulations under FEMA (US), where it carries FEMA number 3680 and is recognized for contributing to safe and effective flavor profiles. The IFRA Code of Practice (Global) provides recommended concentration limits to ensure safe usage in fragrances. The compound's sensory attributes support its use in mimicking chocolate, cocoa, and pistachio notes in complex flavor blends.
Physico-Chemical Properties Summary
2-ethyl-4-methyl thiazole is a moderately volatile liquid with a boiling point ranging from 161 to 162°C at standard atmospheric pressure. It has a specific gravity between 1.021 and 1.031 at 25°C and a refractive index from 1.501 to 1.511 at 20°C. The compound demonstrates slight solubility in water at approximately 591.9 mg/L at 25°C, but it is soluble in alcohol solvents. Its vapor density is relatively high at 4.3, and it has a low estimated log P value around 0.87, indicating moderate lipophilicity. The flash point is measured at 60°C when converted from 140°F, signifying moderate flammability hazards relevant for handling and formulation. These properties influence the compound's behavior in flavor and fragrance matrices as well as its stability and delivery in finished products.
FAQ
What is 2-ethyl-4-methyl thiazole and what are its main characteristics?
2-ethyl-4-methyl thiazole is a sulfur-containing heterocyclic organic compound with a characteristic odor described as nutty, savory, and coffee-like. It is used primarily as a flavor and fragrance agent to add roasted, cocoa, or smoky notes to food and perfume formulations. Its chemical structure includes a thiazole ring substituted with ethyl and methyl groups, and it naturally occurs in cooked meats, coffee, and roasted seeds. The compound contributes to complex aroma profiles common in savory and confectionery products.
Where does 2-ethyl-4-methyl thiazole naturally occur and how is it used in industry?
This compound naturally occurs in several cooked and roasted food items such as beef, chicken, pork, coffee, red raspberry fruit, and roasted sesame seed oil. Industry applications leverage its flavor and odor properties by incorporating it into products like baked goods, candy, dairy, and beverages to enhance nutty, chocolate, pistachio, and coffee notes. Its inclusion supports the recreation of natural and appealing flavors consistent with consumer expectations.
What safety standards and regulations apply to 2-ethyl-4-methyl thiazole in flavor and fragrance applications?
2-ethyl-4-methyl thiazole is recognized by the FEMA Expert Panel (US) and assigned FEMA number 3680, classifying it as generally recognized as safe (GRAS) for flavoring use within established concentration limits. The IFRA Code of Practice (Global) recommends usage ceilings in fragrance concentrates to manage exposure. Safety assessments, including those by EFSA (EU), consider toxicological data to establish maximum intake and occupational handling precautions. Users should consult relevant safety datasheets and regulatory documents to ensure compliance with regional standards.
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 |
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): | HMDB29730 |
| FooDB: | FDB000926 |
| Export Tariff Code: | 2934.10.2000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | 2-ethyl-4-methyl thiazole |
| Trivial Name | 2-Ethyl-4-methylthiazole |
| Short Description | 2-ethyl-4-methylthiazole |
| Formula | C6 H9 N S |
| CAS Number | 15679-12-6 |
| FEMA Number | 3680 |
| Flavis Number | 15.033 |
| ECHA Number | 239-757-9 |
| FDA UNII | LVC1ZV6X4U |
| Nikkaji Number | J45.589J |
| MDL | MFCD00036621 |
| COE Number | 11612 |
| xLogP3-AA | 2.20 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1044 2-ethyl-4-methylthiazole |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 15679-12-6 ; 2-ETHYL-4-METHYLTHIAZOLE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 127.20973205566 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.496 to 8.579 |
| Refractive Index | 1.501 to 1.511 @ 20 °C |
| Boiling Point | 161 to 162°C @ 760 mm Hg |
| Vapor Pressure | 1.705 mmHg @ 25 °C |
| Vapor Density | 4.3 |
| Flash Point TCC Value | 60 °C TCC |
| logP (o/w) | 0.871 est |
| Solubility | |
| alcohol | Yes |
| water, 591.9 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Nutty | |
| nutty, green, pistachio, brown, savory, coffee, sulfurous, meaty | |
| General comment | At 0.10 % in dipropylene glycol. nutty green pistachio |
| Mosciano, Gerard P&F 17, No. 6, 41, (1992) | At 1.00 % in ethyl alcohol. Nutty, brown, savory with coffee, sulfury and meaty nuances |
| Flavor Type: Coffee | |
| coffee, cocoa, meaty, rubbery | |
| Mosciano, Gerard P&F 17, No. 6, 41, (1992) | At 1.00 ppm. Coffee, cocoa, meaty, rubbery |
| Used in baked goods, candy, coffee and meat flavors. | Nutty |
| Used in flavours for dairy, confectionery, desserts, beverages at 1ppm. | Nutty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Coffee , Green |
| Flavoring purposes | Candy , Chocolate cocoa , Pistachio |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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: | |
| oral-rat LD50 [sex: M,F] 540 mg/kg (Moreno et al., 1981b) | |
| 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 2-ethyl-4-methyl thiazole usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.20 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.00000 | |
| 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: | - | 1.00000 | |
| 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 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30 View page or View pdf |
| Scientific Opinion on the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 76, Revision 1 (FGE.76Rev1): Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 and miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21Rev3 View page or View pdf |
| Safety and efficacy of thiazoles, thiophene and thiazoline belonging to chemical group 29 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):15679-12-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :27440 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:3 |
| 2-ethyl-4-methyl-1,3-thiazole |
| Chemidplus:0015679126 |