1-benzofuran
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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      Product(s):
      B0060 2,3-Benzofuran >99.0%(GC)
       
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1-benzofuran (Click)
CAS Number: 271-89-6Picture of molecule
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
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PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.07200 @  25.00 °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 mm/Hg @ 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
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Organoleptic Properties:
 styrene  aromatic  
Taste Description:
styrene aromatic
  
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Cosmetic Information:
None found
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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)
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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
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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.
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Safety References:
EPI System: View
NIOSH International Chemical Safety Cards: search
NLM Hazardous Substances Data Bank: Search
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
Carcinogenic Potency Database: Search
Env. Mutagen Info. Center: 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
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References:
 1-benzofuran
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 271-89-6
Pubchem (cid): 9223
Pubchem (sid): 134974109
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
CHEMBL: View
KEGG (GenomeNet): C14512
HMDB (The Human Metabolome Database): HMDB32929
FooDB: FDB010914
Export Tariff Code: 2932.99.3200
Haz-Map: View
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: 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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 coffee roasted coffee
Search  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
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Synonyms:
 benzo(b)furan
2,3-benzofuran
 cumarone
1-oxidene
1-oxindene
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