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4,5-dimethyl-2-ethyl thiazole
4,5-dimethyl-2-ethyl thiazole is a sulfur-containing flavor compound with nutty, burnt hazelnut, and cocoa aromas used in chocolate and coffee formulations.
General Material Description
4,5-dimethyl-2-ethyl thiazole is a heterocyclic organic compound characterized by a thiazole ring substituted with ethyl and methyl groups. It has the molecular formula C7H11NS and a molecular weight of approximately 141.24 g/mol. This compound typically appears as a volatile, moderately lipophilic liquid with notable sulfur content. Sensory descriptions associate it with nutty, burnt hazelnut, and cocoa-like aroma notes, contributing distinct flavors to various food products. Known synonyms include 2-ethyl-4,5-dimethyl-1,3-thiazole and Thiazole, 2-ethyl-4,5-dimethyl-. It is recognized and indexed in chemical databases such as PubChem. This flavoring agent is generally obtained by chemical synthesis and sometimes identified as a component in roasted or fermented food products.
Occurrence, Applicability & Potential Uses
4,5-dimethyl-2-ethyl thiazole naturally occurs in coffee, where it contributes to the characteristic aroma profile developed during roasting. Its nutty and roasted scent qualities make it valuable as a flavoring agent in chocolate, coffee, and nut-flavored food products. It is widely applied in food formulations to enhance depth and complexity in flavor profiles. According to the flavoring regulations of FEMA (US), this compound is used within defined limits classified under flavoring substances. The European Food Safety Authority (EFSA) has evaluated related sulfur heterocyclic compounds in flavoring group evaluations, establishing its applicability in safe flavor development and usage.
Physico-Chemical Properties Summary
The compound exhibits moderate volatility with a vapor pressure of 0.402 mmHg at 25 °C, reflecting its significant evaporation tendency at ambient conditions. Its estimated logP value of approximately 1.36 denotes moderate lipophilicity, suggesting solubility in organic solvents and limited aqueous solubility estimated at about 177 mg/L at room temperature. It is soluble in alcohols but only sparingly soluble or effectively insoluble in water. The flash point for this compound is around 74 °C (166 °F), indicating a relatively secure handling temperature under normal conditions. These physical and chemical properties influence formulation choices, impacting extraction, blending, and stability within flavor compositions.
FAQ
What is 4,5-dimethyl-2-ethyl thiazole and what are its sensory characteristics?
4,5-dimethyl-2-ethyl thiazole is a sulfur-containing heterocyclic compound with the molecular formula C7H11NS. It produces distinctive nutty and burnt hazelnut aromas and is often described as having cocoa-like notes. These sensory features make it valuable in flavoring applications where roasted and nutty profiles are desired.
Where does 4,5-dimethyl-2-ethyl thiazole occur naturally, and how is it used in products?
This compound naturally occurs in coffee, especially as a product of roasting processes. It is used primarily as a flavoring agent in foods and beverages, including chocolate, coffee, and nut-flavored items. Its contribution enhances roasted, nutty flavor impressions, providing complexity to aromatic profiles.
How is 4,5-dimethyl-2-ethyl thiazole regulated for use in food products and what safety information is available?
4,5-dimethyl-2-ethyl thiazole is evaluated under flavoring regulations such as FEMA (US) and EFSA (EU) standards, included in flavoring group evaluations that assess safety for consumption. Usage limits are specified for various food categories to ensure safe exposure levels. Safety data indicate no classified hazards or required precautionary statements under OSHA HCS guidelines. Comprehensive toxicological studies have been reviewed, supporting its approved use as a food flavor additive.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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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 |
| HMDB (The Human Metabolome Database): | HMDB40068 |
| FooDB: | FDB019755 |
| Export Tariff Code: | 2934.10.2000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | 4,5-dimethyl-2-ethyl thiazole |
| Trivial Name | 2-Ethyl-4,5-dimethylthiazole |
| Short Description | 2-ethyl-4,5-dimethylthiazole |
| Formula | C7 H11 N S |
| CAS Number | 873-64-3 |
| Flavis Number | 15.058 |
| FDA UNII | 34N4WYF56I |
| Nikkaji Number | J45.611J |
| MDL | MFCD00053125 |
| xLogP3-AA | 2.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 141.23666381836 |
| Vapor Pressure | 0.402 mmHg @ 25 °C |
| Flash Point TCC Value | 74.44 °C TCC |
| logP (o/w) | 1.361 est |
| Solubility | |
| alcohol | Yes |
| water, 177.1 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Nutty | |
| burnt, hazelnut, cocoa, nutty | |
| General comment | At 0.01 % in propylene glycol. burnt hazelnut cocoa |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| 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: | |||
| flavoring agents | |||
| Recommendation for 4,5-dimethyl-2-ethyl thiazole usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.015 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 130 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.30000 | 1.50000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.40000 | 2.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 0.40000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 0.50000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
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 |
| Flavouring Group Evaluation 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 2 (FGE.21Rev2): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 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 :522877 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:3 |
| 2-ethyl-4,5-dimethyl-1,3-thiazole |
| Chemidplus:0000873643 |