Record Information
Version1.0
Creation date2018-05-02 12:29:41 UTC
Update date2018-05-04 14:23:10 UTC
FoodComEx IDPC001193
FoodDB RecordFDB000662
Chemical Information
NameGallic acid
DescriptionGallic acid, also known as gallate or acid, gallic, belongs to the class of organic compounds known as gallic acids. These are organic compounds that contain a 3,4,5-trihydroxybenzoic acid moiety. Gallic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Gallic acid exists in all living species, ranging from bacteria to humans. Outside of the human body, Gallic acid is found, on average, in the highest concentration within a few different foods, such as mango, pomegranates, and cloves and in a lower concentration in red raspberries, cumins, and turnips. Gallic acid has also been detected, but not quantified in, several different foods, such as common walnuts, tarragons, gingers, fruit juices, and corns. This could make gallic acid a potential biomarker for the consumption of these foods. A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5.
CAS Number149-91-7
Structure
Thumb
Synonyms
SynonymSource
3,4,5-Trihydroxy-benzoateHMDB
3,4,5-Trihydroxy-benzoic acidHMDB
3,4,5-TrihydroxybenzoateGenerator
3,4,5-Trihydroxybenzoic aciddb_source
3,4,5-Trihydroxybenzoic acid (acd/name 4.0)HMDB
GallateGenerator
Gallic aciddb_source
Gallic acid polymerHMDB
Gallic acid tech.HMDB
GalopHMDB
Pyrogallol-5-carboxylateGenerator
Pyrogallol-5-carboxylic acidChEBI
Chemical FormulaC7H6O5
IUPAC name3,4,5-trihydroxybenzoic acid
InChI IdentifierInChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChI KeyLNTHITQWFMADLM-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=CC(O)=C(O)C(O)=C1
Average Molecular Weight170.12
Monoisotopic Molecular Weight170.021523293
Chemical Taxonomy
Description belongs to the class of organic compounds known as gallic acids. These are organic compounds that contain a 3,4,5-trihydroxybenzoic acid moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentGallic acids
Alternative Parents
Substituents
  • Gallic acid
  • Benzenetriol
  • Benzoic acid
  • Pyrogallol derivative
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Polyol
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP0.70HANSCH,C ET AL. (1995)
Experimental Water Solubility11.9 mg/mL at 20 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 235-240° (225°)DFC
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
AKSci D772
AKSci J92750
Cayman Chemical 11846
Glentham GK7318
Glentham GK3445
MetaSci HMDB0005807
Sigma-Aldrich HMDB0005807
Toronto Research Chemicals G188978