We have found
46589
results matching your criteria.
Please wait while we search...
3-methyl-2-thiophene carboxaldehyde
3-methyl-2-thiophene carboxaldehyde is a sulfur-containing aldehyde notable for its saffron-like aroma and occurrence in cooked beef.
General Material Description
3-methyl-2-thiophene carboxaldehyde is an organic sulfur-containing aldehyde with the molecular formula C6H6OS. It is a derivative of thiophene featuring a formyl group at the 2-position and a methyl substituent at the 3-position. This compound presents as a colorless to pale yellow liquid or solid and is characterized by a distinctive saffron-like and camphoraceous aroma. Also known by several synonyms such as 2-formyl-3-methylthiophene and 3-methylthiophene-2-carboxaldehyde, it belongs to the class of heterocyclic aldehydes commonly encountered in natural aroma compounds. PubChem ([CID 79911](https://pubchem.ncbi.nlm.nih.gov/compound/79911)) provides authoritative chemical data on this compound. It is naturally found as a minor volatile component in cooked beef and is relevant in the study of natural extractives and flavor substances.
Occurrence, Applicability & Potential Uses
3-methyl-2-thiophene carboxaldehyde occurs naturally in cooked beef, contributing to its characteristic aroma. Its presence in food matrices classifies it among natural volatile constituents relevant to flavor chemistry and food science. The compound is primarily applicable as a reference substance in analytical studies on natural extractives but is not approved for flavor or fragrance use according to IFRA (Global) standards. Potential uses are therefore limited to research contexts involving natural substances and extractives where understanding sulfur-containing aroma compounds of animal origin is required.
Physico-Chemical Properties Summary
This thiophene derivative has a molecular weight of 126.18 g/mol and exhibits a moderate boiling point range of 216 to 217 °C at atmospheric pressure, indicating relative thermal stability in typical formulation processes. Its specific gravity is measured at 1.17 at 25 °C, which informs its density relative to water. The compound has an estimated logP of 1.458, demonstrating moderate lipophilicity that affects its solubility and partitioning behavior. Vapor pressure is low at 0.144 mmHg at 25 °C, consistent with limited volatility. It is soluble in alcohol and exhibits low water solubility at approximately 1600 mg/L at 25 °C. These properties influence its handling and analytical characterization, while its flash point of 82 °C (180 °F) indicates typical flammability hazards of aromatic aldehydes.
FAQ
What is 3-methyl-2-thiophene carboxaldehyde and what are its main characteristics?
3-methyl-2-thiophene carboxaldehyde is an organic sulfur-containing aldehyde derived from thiophene with a methyl substituent at the 3-position and a formyl group at the 2-position. It has a distinctive saffron-like and camphoraceous aroma and appears naturally in cooked beef as a minor volatile compound. Chemically, it is identified by the molecular formula C6H6OS and features moderate boiling point and density values. It is primarily studied in the context of natural extractives and flavor chemistry.
Where is 3-methyl-2-thiophene carboxaldehyde found and how is it commonly used?
This compound is found naturally in cooked beef, contributing to its characteristic aroma profile. It is mainly utilized in research settings focusing on natural volatile substances and analytical chemistry related to flavor components. While it holds interest for its odor properties, regulatory standards restrict its use in consumer flavors and fragrances. Consequently, it functions primarily as a reference material in scientific studies rather than as an additive in commercial formulations.
Are there any regulations or safety considerations for using 3-methyl-2-thiophene carboxaldehyde?
3-methyl-2-thiophene carboxaldehyde is not approved for use as a flavor or fragrance ingredient under IFRA (Global) usage recommendations. Safety data compiled under OSHA regulations in the United States indicate no formal hazard classifications for this substance, though specific toxicological data remain limited. Handling requires standard chemical safety precautions due to its flammable nature, but no official hazard or precautionary statements are assigned. It is chiefly regulated within chemical safety frameworks for research chemicals rather than consumer use.
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
| 3-methylthiophene-2-carbaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 79911 |
| Pubchem (sid): | 135036879 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
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 |
| Export Tariff Code: | 2934.90.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | 3-methyl-2-thiophene carboxaldehyde |
| Trivial Name | 3-Methyl-2-thiophenecarboxaldehyde |
| Short Description | 2-thiophenecarboxaldehyde, 3-methyl- |
| Formula | C6 H6 O S |
| CAS Number | 5834-16-2 |
| ECHA Number | 227-418-8 |
| FDA UNII | ZHC9WE8PS0 |
| Nikkaji Number | J37.033I |
| Beilstein Number | 107874 |
| MDL | MFCD00005430 |
| xLogP3-AA | 1.80 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| BOC Sciences | Matrix Scientific |
| Santa Cruz Biotechnology | Sigma-Aldrich: Aldrich |
| TCI AMERICA |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 126.1780166626 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Boiling Point | 216 to 217°C @ 760 mm Hg |
| Vapor Pressure | 0.144 mmHg @ 25 °C |
| Flash Point TCC Value | 85.2 °C TCC |
| logP (o/w) | 1.458 est |
| Solubility | |
| alcohol | Yes |
| water, 1600 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Flavor Type: Saffron | |
| saffron, camphoreous | |
| General comment | Saffron camphoreous |
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: | |||
| natural substances and extractives | |||
| Recommendation for 3-methyl-2-thiophene carboxaldehyde usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3-methyl-2-thiophene carboxaldehyde flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| 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 :79911 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 3-methylthiophene-2-carbaldehyde |
| Chemidplus:0005834162 |