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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:54:14 UTC
Update Date2023-02-21 17:23:13 UTC
HMDB IDHMDB0033183
Secondary Accession Numbers
  • HMDB33183
Metabolite Identification
Common Name2-Benzofurancarboxaldehyde
Description2-Benzofurancarboxaldehyde belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. 2-Benzofurancarboxaldehyde is an almond and bitter tasting compound. Based on a literature review very few articles have been published on 2-Benzofurancarboxaldehyde.
Structure
Data?1677000193
Synonyms
ValueSource
1-Benzofuran-2-carbaldehydeHMDB
2-BenzofurancarbaldehydeHMDB
2-FormylbenzofuranHMDB
benzo(b)-2-FurfuralHMDB
Benzofuran-2-aldehydeHMDB
Benzofuran-2-carbaldehydeHMDB
Benzofuran-2-carboxaldehydeHMDB
CoumarilaldehydeHMDB
FEMA 3128HMDB
Nchem.328-comp4cHMDB
Chemical FormulaC9H6O2
Average Molecular Weight146.1427
Monoisotopic Molecular Weight146.036779436
IUPAC Name1-benzofuran-2-carbaldehyde
Traditional Name1-benzofuran-2-carbaldehyde
CAS Registry Number4265-16-1
SMILES
O=CC1=CC2=CC=CC=C2O1
InChI Identifier
InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChI KeyADDZHRRCUWNSCS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzofurans
Sub ClassNot Available
Direct ParentBenzofurans
Alternative Parents
Substituents
  • Benzofuran
  • Aryl-aldehyde
  • Benzenoid
  • Heteroaromatic compound
  • Furan
  • Oxacycle
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aldehyde
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting Point195.00 to 198.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Boiling Point130.00 to 131.00 °C. @ 13.00 mm HgThe Good Scents Company Information System
Water Solubility1520 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP1.665 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011194
KNApSAcK IDNot Available
Chemspider ID55277
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound61341
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1011591
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .