Articles:
| US Patents: | 3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines |
2,3-benzofuran
Notes:
Maillard prod. present in roasted coffee aroma. Constit. of Coix lachryma-jobi (Job's tears) and Gentiana lutea (yellow gentian)
Benzofuran is the heterocyclic compound consisting of fused benzene and furan rings. It is the parent of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants.
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| CAS Number: | 271-89-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 205-982-6 | |
| FDA UNII: | LK6946W774 | |
| Nikkaji Web: | J5.447J | |
| Beilstein Number: | 0107704 | |
| MDL: | MFCD00005847 | |
| XlogP3: | 2.70 (est) | |
| Molecular Weight: | 118.13502000 | |
| Formula: | C8 H6 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FDA Mainterm (IAUFC): | 271-89-6 ; BENZOFURAN |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.09600 to 1.09900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.120 to 9.145 |
| Refractive Index: | 1.56600 to 1.56800 @ 20.00 °C. |
| Melting Point: | -17.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 174.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 165.00 to 166.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.440000 mmHg @ 25.00 °C. |
| Flash Point: | 133.00 °F. TCC ( 56.11 °C. ) |
| logP (o/w): | 2.670 |
| Soluble in: | |
| alcohol | |
| water, 534.8 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Flavor Type: styrene | |
| styrene aromatic | |
| Taste Description: | styrene aromatic |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2,3-Benzofuran |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2,3-Benzofuran 99% |
| TCI AMERICA |
| For experimental / research use only. |
| 2,3-Benzofuran >99.0%(GC) |
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: | |
|
intraperitoneal-mouse LD50 500 mg/kg European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 1-benzofuran usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 1-benzofuran flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| NIOSH International Chemical Safety Cards: | search |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| Carcinogenic Potency Database: | Search |
| EPA Substance Registry Services (TSCA): | 271-89-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 9223 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1-benzofuran | |
| Chemidplus: | 0000271896 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 271-89-6 |
References:
| 1-benzofuran | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 271-89-6 |
| Pubchem (cid): | 9223 |
| Pubchem (sid): | 134974109 |
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 Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C14512 |
| HMDB (The Human Metabolome Database): | HMDB32929 |
| FooDB: | FDB010914 |
| Export Tariff Code: | 2932.99.3200 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | 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 |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| coffee roasted coffee Search PMC Picture | |
| coix lachryma-jobi Search Trop Picture | |
| gentian yellow gentian Search Trop Picture | |
| michelia alba flower absolute @ 0.14% Data GC Search Trop Picture | |
| thevetia peruviana (pers.) k. schum. flower oil brazil @ 5.30% Data GC Search Trop Picture |
Synonyms:
| benzo(b)furan | |
| 2,3- | benzofuran |
| cumarone | |
| 1- | oxidene |
| 1- | oxindene |