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7-methyl-1-benzofuran-2-carbaldehyde
7-methyl-1-benzofuran-2-carbaldehyde is a bitter, earthy compound naturally present in coffee with limited use in fragrance or flavor applications.
General Material Description
7-methyl-1-benzofuran-2-carbaldehyde is a heterocyclic aromatic aldehyde classified chemically as a substituted benzofuran with the molecular formula C10H8O2. It appears as a compound with a characteristic bitter and earthy flavor profile, documented primarily from its presence in coffee. The compound is known under synonyms including 7-methyl-2-benzofurancarboxaldehyde and 7-methyl-benzofuran-2-aldehyde. It is referenced in chemical databases such as PubChem. This substance is naturally derived in coffee and is not commonly isolated for commercial flavor or fragrance applications due to limited usage and regulatory considerations.
Occurrence, Applicability & Potential Uses
7-methyl-1-benzofuran-2-carbaldehyde occurs naturally in coffee, contributing to its complex flavor and aroma characteristics. Despite its detectable sensory presence, this compound is not employed in commercial fragrance or flavor formulations. Regulatory frameworks including REACH (EU) acknowledge its existence in natural products but provide no formal usage levels due to minimal application. Its role remains primarily informational within flavor chemistry studies rather than as a functional additive or ingredient in consumer products.
Physico-Chemical Properties Summary
This compound exhibits moderate solubility in water, approximately 449 mg/L at 25 °C, reflecting its balance between hydrophilic and hydrophobic moieties. Its molecular weight is 160.17 g/mol, and the estimated partition coefficient (XLogP) of 2.5 indicates moderate lipophilicity. These properties suggest limited volatility and influence its presence within aqueous environments such as coffee extracts. The benzofuran core's aromaticity and aldehyde functionality define its reactivity and contribute to its sensory characteristics.
FAQ
What is 7-methyl-1-benzofuran-2-carbaldehyde and its primary characteristics?
7-methyl-1-benzofuran-2-carbaldehyde is an aromatic aldehyde belonging to the benzofuran chemical class. It has a bitter and earthy flavor profile and is naturally found in coffee. Chemically, it possesses the formula C10H8O2 and weighs approximately 160.17 g/mol. It is identified by several synonyms and has moderate solubility and lipophilicity, which influence its behavior in natural matrices.
Where does 7-methyl-1-benzofuran-2-carbaldehyde occur naturally, and what are its uses?
This compound occurs naturally in coffee and contributes to the beverage’s complex flavor profile with bitter and earthy notes. Its use is informational only and it is not applied in flavor or fragrance product formulations. Due to its limited practical use and available toxicological data, the compound remains largely of academic and analytical interest within food chemistry.
Is there any regulatory guidance or safety information available for 7-methyl-1-benzofuran-2-carbaldehyde?
No specific hazards or classifications under OSHA or GHS have been identified for 7-methyl-1-benzofuran-2-carbaldehyde. Regulatory guidance such as REACH (EU) does not include defined usage levels for this compound given its non-use in commercial flavors or fragrances. Safety data remain incomplete, and there are no recommendations for its application in consumer products.
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
| 7-methyl-1-benzofuran-2-carbaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 10511153 |
| Pubchem (sid): | 41891768 |
| Publications by US Patents | |
| 4,002,793 - 7-Methyl-2-benzofuran carboxaldehyde | |
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): | HMDB41009 |
| FooDB: | FDB020871 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
General Material Information
| Preferred name | 7-methyl-1-benzofuran-2-carbaldehyde |
| Trivial Name | 7-Methyl-2-benzofurancarboxaldehyde |
| Short Description | 2-benzofurancarboxaldehyde, 7-methyl- |
| Formula | C10 H8 O2 |
| CAS Number | 57897-70-8 |
| FDA UNII | Search |
| xLogP3-AA | 2.50 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 160.17216491699 |
| Solubility | |
| water, 448.9 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Flavor Type: Bitter | |
| bitter, earthy | |
| General comment | Bitter, earthy |
Occurrences
| (data available) |
Safety Information
Safety information
| 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: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for 7-methyl-1-benzofuran-2-carbaldehyde usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 7-methyl-1-benzofuran-2-carbaldehyde 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 :10511153 |
| National Institute of Allergy and Infectious Diseases:Data |
| 7-methyl-1-benzofuran-2-carbaldehyde |