Record Information
Version1.0
Creation date2018-04-10 12:30:08 UTC
Update date2018-04-27 10:19:13 UTC
FoodComEx IDPC001106
FoodDB RecordFDB013879
Chemical Information
NamePhloroglucinol
DescriptionPhloroglucinol is soluble (in water) and a very weakly acidic compound (based on its pKa). It is a phenol derivative with antispasmodic properties that is used primarily as a laboratory reagent. Gut microbiota metabolite of flavonoids such as quercetin or hesperetin
CAS Number108-73-6
Structure
Thumb
Synonyms
SynonymSource
1,3,5-Trihydroxybenzenedb_source
Dilospan Sdb_source
Phloroglucindb_source
Phloroglucinoldb_source
Spasfon-Lyocdb_source
Chemical FormulaC6H6O3
IUPAC namebenzene-1,3,5-triol
InChI IdentifierInChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChI KeyQCDYQQDYXPDABM-UHFFFAOYSA-N
Isomeric SMILESOC1=CC(O)=CC(O)=C1
Average Molecular Weight126.11
Monoisotopic Molecular Weight126.031694058
Chemical Taxonomy
Description belongs to the class of organic compounds known as phloroglucinols and derivatives. Phloroglucinols and derivatives are compounds containing a phloroglucinol (benzene-1,3,5-triol) moiety, which consists of a benzene ring bearing one hydroxyl group at positions 1,3, and 5.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassBenzenetriols and derivatives
Direct ParentPhloroglucinols and derivatives
Alternative Parents
Substituents
  • Phloroglucinol derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Polyol
  • 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 5 mg
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsRT
StabilityNot Available
Purity>98%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr
Commercial Vendors
AKSci D576
Cayman Chemical 23223
Glentham GT4554
Toronto Research Chemicals P340000