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Showing Compound 2-Furanmethanol (FDB012558)

Record Information
Version1.0
Creation date2010-04-08 22:10:14 UTC
Update date2019-11-26 03:07:04 UTC
Primary IDFDB012558
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name2-Furanmethanol
DescriptionIsolated from coffee aroma, tea, wheat bread, crispbread, soybean, cocoa, rice, potato chips and other sources. Flavouring ingredient. 2-Furanmethanol is found in many foods, some of which are sesame, pulses, white mustard, and potato.
CAS Number98-00-0
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(2-Furyl)-methanolHMDB
(2-FURYL)-METHANOL (FURFURYLALCOHOL)biospider
(2-Furyl)methanolChEBI
α-furfuryl alcoholbiospider
α-furylcarbinolbiospider
2-(Hydroxymethyl)furandb_source
2-Furancarbinolbiospider
2-Furane-methanolChEBI
2-Furane-methanol (furfurol)biospider
2-furanemethanolbiospider
2-Furanmethanol (furfuryl alcohol)biospider
2-Furanmethanol, homopolymerbiospider
2-Furanylmethanolbiospider
2-Furfuryl alcoholbiospider
2-Furfurylalkoholbiospider
2-Furylcarbinolbiospider
2-Furylmethanolbiospider
2-Furylmethanol (acd/name 4.0)HMDB
2-Hydroxymethylfuranbiospider
2-hydroxymethylfuranebiospider
5-Hydroxymethylfuranbiospider
5-Hydroxymethylfuranalbiospider
a-FurylcarbinolGenerator
alpha -Furfuryl alcoholHMDB
alpha -FurylcarbinolHMDB
alpha-Furfuryl alcoholHMDB
alpha-Furylcarbinolbiospider
FEMA 2491db_source
furan-2-methanolbiospider
Furan-2-yl-methanolChEBI
Furan-2-ylmethanolHMDB
Furanmethanolbiospider
Furfural alcoholbiospider
Furfuralcoholbiospider
Furfuranolbiospider
Furfuryl alcoholbiospider
Furfuryl alcohol (furfurol)biospider
Furfuryl alcohol [UN2874] [Poison]biospider
Furfuryl alcohol, 8CIdb_source
Furfurylcarbbiospider
Furyl alcoholbiospider
Furylcarbinolbiospider
Furylcarbinol (van)biospider
Methanol, (2-furyl)-biospider
Qo furfuryl alcoholbiospider
α-furylcarbinolGenerator
Predicted PropertiesNot Available
Chemical FormulaC5H6O2
IUPAC name
InChI IdentifierInChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChI KeyXPFVYQJUAUNWIW-UHFFFAOYSA-N
Isomeric SMILESOCC1=CC=CO1
Average Molecular Weight98.0999
Monoisotopic Molecular Weight98.036779436
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionC 61.22%; H 6.16%; O 32.62%DFC
Melting Point-14.6 oC
Boiling PointBp10 68-69°DFC
Experimental Water Solubility1000 mg/mL at 25 oCMCKILLIP,WJ & SHERMAN,E (1978)
Experimental logP0.28HANSCH,C ET AL. (1995)
Experimental pKapKa 9.55DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd234 1.13DFC
Refractive Indexn23D 1.4852DFC
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID7083
ChEMBL IDCHEMBL308187
KEGG Compound IDC20441
Pubchem Compound ID7361
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB13742
CRC / DFC (Dictionary of Food Compounds) IDHHX61-X:HHX61-X
EAFUS ID1417
Dr. Duke IDFURFURYL-ALCOHOL|FUFURYL-ALCOHOL
BIGG IDNot Available
KNApSAcK IDC00029456
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID98-00-0
GoodScent IDrw1013391
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDS
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
flavor48318 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
burnt
  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
alcoholic
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
chemical
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
musty
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
sweet
  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.
bread
  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.
bitter
  1. Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
Files
MSDSshow
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.