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5-ethyl-2-thiophene carboxaldehyde
5-ethyl-2-thiophene carboxaldehyde is a sulfur heterocyclic aldehyde used as a flavoring agent with fruity odor notes resembling benzaldehyde.
General Material Description
5-ethyl-2-thiophene carboxaldehyde is a sulfur-containing heterocyclic aromatic compound characterized by a thiophene ring substituted with an ethyl group and an aldehyde functional group at the 2-position. It appears as a liquid with a molecular formula of C7H8O S and a molecular weight of approximately 140.2 g/mol. The compound exhibits distinctly fruity odor notes reminiscent of benzaldehyde when diluted at 0.10% in propylene glycol. Synonyms include 5-ethyl thiophene-2-carbaldehyde and 2-thiophenecarboxaldehyde, 5-ethyl-. It is structurally documented with identifiers such as CAS number 36880-33-8 and FAIR chemical registries. The substance is typically sourced or synthesized for its use in flavor applications, especially in food ingredients where its organoleptic properties contribute to specific flavor profiles. More chemical information is accessible through databases like PubChem.
Occurrence, Applicability & Potential Uses
5-ethyl-2-thiophene carboxaldehyde occurs as a synthetic flavoring agent rather than a naturally widespread biological metabolite. It is valued for imparting cherry, meat, and nut flavor nuances in food products. The compound finds roles mainly in the flavoring industry where specific odor characteristics enhance or modify complex flavor profiles. Regulatory bodies such as FEMA (US) provide guidelines on its usage concentration levels in food to ensure acceptable sensory effect and safety margins. Its application is often tailored to dairy products, fats and oils, confectionery, and savory foods, adhering to established restrictions set by the European Food Safety Authority (EFSA) under regulations like Commission Regulation (EC) No 1565/2000 (EU).
Physico-Chemical Properties Summary
This compound has a boiling point range of 225 to 227°C at atmospheric pressure and a vapor pressure of approximately 0.077 mmHg at 25°C, indicating moderate volatility. Its estimated log P value of 1.727 suggests moderate lipophilicity, influencing its solubility and partitioning behavior in formulation systems. It is soluble in alcohol and shows limited, estimated solubility in water around 535 mg/L at 25°C. The flash point is approximately 193°F (about 89.4°C), underlining its handling safety parameters. Such physicochemical traits affect its stability, volatility, and distribution in flavor compositions, guiding formulation scientists on appropriate solvent use and extraction conditions.
FAQ
What is 5-ethyl-2-thiophene carboxaldehyde and what are its key characteristics?
5-ethyl-2-thiophene carboxaldehyde is a sulfur-containing heterocyclic aldehyde composed of a thiophene ring bonded to an ethyl group and an aldehyde group. It is recognized for its fruity odor, resembling benzaldehyde, and is primarily used as a flavoring agent. The compound has a molecular formula of C7H8O S and a molecular weight near 140.2 g/mol. Its flavor applications benefit from its ability to impart cherry, meat, and nut aroma notes. The compound is documented under CAS number 36880-33-8 and other chemical identifiers.
How is 5-ethyl-2-thiophene carboxaldehyde used and where does it typically occur?
This compound is mainly applied as a synthetic flavoring ingredient in various food products. It is not commonly found as a natural biological metabolite but is produced industrially for flavor enhancement, especially where cherry, meat, or nut notes are desired in food formulations. Typical applications include dairy products, confectionery, processed fruit, savory foods, and beverages. Usage levels comply with regulations such as FEMA (US) and EFSA (EU) standards to balance flavor intensity and safety.
What safety regulations and sourcing information exist for 5-ethyl-2-thiophene carboxaldehyde?
5-ethyl-2-thiophene carboxaldehyde is recognized within flavor regulatory frameworks such as the Flavor and Extract Manufacturers Association (FEMA, US) and the European Food Safety Authority (EFSA, EU). EFSA has evaluated its safety under Commission Regulation (EC) No 1565/2000, setting maximum usage levels across diverse food categories. No significant hazard classifications or precautionary statements appear under OSHA's GHS standards. Safety data sheets indicate limited toxicity information with no specific hazard statements, making it suitable for controlled flavor use. Analytical and sourcing data are referenced by CAS 36880-33-8 and related chemical registry listings.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| 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 |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
General Material Information
| Preferred name | 5-ethyl-2-thiophene carboxaldehyde |
| Trivial Name | 5-Ethyl-2-thiophenecarboxaldehyde |
| Short Description | 2-thiophenecarboxaldehyde, 5-ethyl- |
| Formula | C7 H8 O S |
| CAS Number | 36880-33-8 |
| Flavis Number | 15.074 |
| ECHA Number | 253-252-0 |
| FDA UNII | 8I907X809K |
| Nikkaji Number | J260.692E |
| MDL | MFCD00143457 |
| xLogP3-AA | 2.20 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 140.20495605469 |
| Boiling Point | 225 to 227°C @ 760 mm Hg |
| Vapor Pressure | 0.077 mmHg @ 25 °C |
| Vapor Density | 4.8 |
| Flash Point TCC Value | 89.44 °C TCC |
| logP (o/w) | 1.727 est |
| Solubility | |
| alcohol | Yes |
| water, 535 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| almond bitter almond, cherry | |
| General comment | At 0.10 % in propylene glycol. like benzaldehyde |
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 5-ethyl-2-thiophene carboxaldehyde usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0..37 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 78 (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): | 0.20000 | 1.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 0.50000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.20000 | 1.00000 | |
| Processed fruit (04.1): | 0.20000 | 1.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.20000 | 1.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.10000 | 0.50000 | |
| Bakery wares (07.0): | 0.20000 | 1.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.20000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.20000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.10000 | 0.50000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 0.50000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.20000 | 1.00000 | |
| Ready-to-eat savouries (15.0): | 0.40000 | 2.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.10000 | 0.50000 | |
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 |
| Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). 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 Substance Registry Services (TSCA):36880-33-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :169830 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 5-ethylthiophene-2-carbaldehyde |
| Chemidplus:0036880338 |