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catechol (PC001179)

Record Information
Version1.0
Creation date2018-05-02 12:08:46 UTC
Update date2018-05-04 14:25:22 UTC
FoodComEx IDPC001179
FoodDB RecordNot Available
Chemical Information
Namecatechol
Description1,2-dihydroxybenzene, also known as pyrocatechol or 2-hydroxyphenol, is a member of the class of compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. 1,2-dihydroxybenzene is soluble (in water) and a very weakly acidic compound (based on its pKa). 1,2-dihydroxybenzene can be found in a number of food items such as orange bell pepper, squashberry, cauliflower, and allspice, which makes 1,2-dihydroxybenzene a potential biomarker for the consumption of these food products. 1,2-dihydroxybenzene can be found primarily in blood, feces, saliva, and urine, as well as throughout most human tissues. 1,2-dihydroxybenzene exists in all living organisms, ranging from bacteria to humans. In humans, 1,2-dihydroxybenzene is involved in a couple of metabolic pathways, which include disulfiram action pathway and tyrosine metabolism. 1,2-dihydroxybenzene is also involved in several metabolic disorders, some of which include hawkinsinuria, tyrosinemia type I, dopamine beta-hydroxylase deficiency, and monoamine oxidase-a deficiency (MAO-A). Moreover, 1,2-dihydroxybenzene is found to be associated with schizophrenia. 1,2-dihydroxybenzene is formally rated as possibly a carcinogenic (IARC 2B) potentially toxic compound.
CAS NumberNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChI KeyYCIMNLLNPGFGHC-UHFFFAOYSA-N
Isomeric SMILESOC1=CC=CC=C1O
Average Molecular Weight110.1106
Monoisotopic Molecular Weight110.036779436
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassBenzenediols
Direct ParentCatechols
Alternative Parents
Substituents
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsRT
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
Not Available