Record Information
Version1.0
Creation date2010-04-08 22:04:46 UTC
Update date2018-05-28 22:36:57 UTC
Primary IDFDB000951
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name2-Furancarboxylic acid
DescriptionIsolated from roots of Phaseolus vulgaris (kidney bean) Furoic acid is a metabolite that appears in the urine of workers occupationally exposed to furfural and is marker of exposure to this compound. Furfural is a heterocyclic aldehyde that is commonly used as a solvent in industry. It is readily absorbed into the body via the lungs and has significant skin absorption. Furfural is an irritant of the eyes, mucous membranes, and skin and is a central nervous system depressant. Furfural as a confirmed animal carcinogen with unknown relevance to humans (It has been suggested that is a substance that produces hepatic cirrhosis). Once in the body, furfural is metabolized rapidly via oxidation to the metabolite furoic acid, which is then conjugated with glycine and excreted in the urine in both free and conjugated forms. (PMID: 3751566, 4630229, 12587683). Furoic acid is a biomarker for the consumption of beer.
CAS Number88-14-2
Structure
Thumb
Synonyms
SynonymSource
2-CarboxyfuranChEBI
2-Furancarboxylic acidChEBI
2-Furanoic acidChEBI
Acide 2-furoiqueChEBI
Acido 2-furoicoChEBI
alpha-Furancarboxylic acidChEBI
alpha-Furoic acidChEBI
Furan-2-carbonsaeureChEBI
Pyromucic acidChEBI
2-FurancarboxylateGenerator
2-FuranoateGenerator
a-FurancarboxylateGenerator
a-Furancarboxylic acidGenerator
alpha-FurancarboxylateGenerator
Α-furancarboxylateGenerator
Α-furancarboxylic acidGenerator
a-FuroateGenerator
a-Furoic acidGenerator
alpha-FuroateGenerator
Α-furoateGenerator
Α-furoic acidGenerator
PyromucateGenerator
2-FuroateGenerator
b-FurancarboxylateHMDB
b-Furancarboxylic acidHMDB
b-FuroateHMDB
b-Furoic acidHMDB
beta-FurancarboxylateHMDB
beta-Furancarboxylic acidHMDB
beta-FuroateHMDB
beta-Furoic acidHMDB
FurancarboxylateHMDB
Furancarboxylic acidHMDB
FuroateHMDB
Furoic acidHMDB
Furan-3-carboxylicHMDB
2-Furoic acid, sodium saltHMDB
Furan-2-ylacetateHMDB
Furan-2-carboxylateHMDB
2-Furoic acidKEGG
α-furancarboxylic acidbiospider
α-furoic acidbiospider
2-furancarboxilic acidbiospider
2-Furoic acid [per EINECS]biospider
2-Furoic acid, 8CIdb_source
2-FUROIC ACID, PRACTbiospider
A-furancarboxylatebiospider
A-furancarboxylic acidbiospider
A-furoatebiospider
Alpha-furancarboxylatebiospider
Alpha-furancarboxylic acidbiospider
Alpha-furoatebiospider
Alpha-furoic acidbiospider
B-furancarboxylatebiospider
B-furancarboxylic acidbiospider
B-furoatebiospider
B-furoic acidbiospider
Beta-furancarboxylatebiospider
Beta-furancarboxylic acidbiospider
Beta-furoatebiospider
Beta-furoic acidbiospider
FOAbiospider
Furan-2-carboxylic acidbiospider
Furancarboxylic acid-(2)biospider
Furoicabiospider
α-furancarboxylateGenerator
α-furancarboxylic acidGenerator
α-furoateGenerator
α-furoic acidGenerator
Predicted PropertiesNot Available
Chemical FormulaC5H4O3
IUPAC name
InChI IdentifierInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChI KeySMNDYUVBFMFKNZ-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=CC=CO1
Average Molecular Weight112.0835
Monoisotopic Molecular Weight112.016043994
Classification
Description belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassFurans
Sub ClassFuroic acid and derivatives
Direct ParentFuroic acids
Alternative Parents
Substituents
  • Furoic acid
  • Heteroaromatic compound
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 53.58%; H 3.60%; O 42.82%DFC
Melting PointMp 133-134°DFC
Boiling PointBp20 141-144°DFC
Experimental Water Solubility37.1 mg/mL at 15 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP0.64POMONA (1987)
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
ChemSpider ID10251740
ChEMBL IDCHEMBL1232797
KEGG Compound IDC01546
Pubchem Compound ID6919
Pubchem Substance IDNot Available
ChEBI ID16739
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00617
CRC / DFC (Dictionary of Food Compounds) IDBNJ06-U:BNJ06-U
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDC00000151
HET IDFOA
Flavornet IDNot Available
GoodScent IDrw1040161
SuperScent IDNot Available
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
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference