Record Information
Version1.0
Creation date2010-04-08 22:09:29 UTC
Update date2019-11-26 03:04:36 UTC
Primary IDFDB011128
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name2-Acetylfuran
DescriptionPresent in cooked apple, morello cherry, wine grapes, peach, strawberry, plum, rabbiteye blueberry, asparagus, kohlrabi, baked potato, pineapple, bread products, rice, yoghurt, wines, soybean, black tea and calamus (European origin). Contributes to aroma of many foods and beverages. It is used in flavour compositions. 2-Acetylfuran is found in many foods, some of which are orange bell pepper, brassicas, pepper (c. annuum), and fruits.
CAS Number1192-62-7
Structure
Thumb
Synonyms
SynonymSource
(2-furanyl)-1-ethanonebiospider
1-(2-Furanyl)-ethanoneChEBI
1-(2-Furanyl)-ethanone (2-acetylfuran)biospider
1-(2-Furanyl)ethanonebiospider
1-(2-furanyl)ethanone (acetylfuran)biospider
1-(2-Furanyl)ethanone, 9CIdb_source
1-(2-Furyl)ethanonebiospider
1-(furan-2-yl)ethanonebiospider
2-Acetofuronedb_source
2-Acetyl-furanHMDB
2-Acetylfuranebiospider
2-Furyl methyl ketonebiospider
2-Furylethanonebiospider
a-Furyl methyl ketonedb_source
Acetylfuranbiospider
Ethanone, 1-(2-furanyl)-biospider
FEMA 3163db_source
Furan, 2-acetyl-biospider
Furyl methyl ketonebiospider
Ketone, 2-furyl methylbiospider
Methyl 2-furyl ketonebiospider
Predicted PropertiesNot Available
Chemical FormulaC6H6O2
IUPAC name
InChI IdentifierInChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
InChI KeyIEMMBWWQXVXBEU-UHFFFAOYSA-N
Isomeric SMILESCC(=O)C1=CC=CO1
Average Molecular Weight110.1106
Monoisotopic Molecular Weight110.036779436
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 65.45%; H 5.49%; O 29.06%DFC
Melting PointMp 33°DFC
Boiling PointBp10 67°DFC
Experimental Water SolubilityNot Available
Experimental logP0.52HANSCH,C ET AL. (1995)
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID13849
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID14505
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB33127
CRC / DFC (Dictionary of Food Compounds) IDFZR41-N:FZR41-N
EAFUS ID1439
Dr. Duke IDACETYLFURAN|2-ACETYL-FURAN
BIGG IDNot Available
KNApSAcK IDC00029371
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID1192-62-7
GoodScent IDrw1026171
SuperScent ID14505
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
balsamic
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
potato
  1. Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
beef
  1. Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
peanut
  1. Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
tobacco
  1. Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
sweet
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
balsam
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
almond
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
cocoa
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
caramel
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
coffee
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.