Name
Gallic acid
CAS
149-91-7
HMDB ID
Synonyms
3,4,5-Trihydroxy-Benzoate
3,4,5-Trihydroxy-Benzoic acid
3,4,5-Trihydroxybenzoate
3,4,5-Trihydroxybenzoic acid
3,4,5-Trihydroxybenzoic acid (ACD/Name 4.0)
Gallate
Gallic acid
Gallic acid polymer
Gallic acid tech.
Galop
Pyrogallol-5-carboxylic acid
Molecular formula
C7H6O5
Average molecular weight
170.12
Monoisotopic mass of parent ion
170.0215
Verified Purity
99.5%
Solubility
N/A
Spectra
Chromatogram
Find the volume
mg
g/mol
mM
Find the weight
mM
g/mol
mL
Find the concentration
g/mol
mL
mg
(%)
Chloroform
100
80
60
40
20
0
0
20
40
60
80
100
MeOH
(%)
(%)
H2O
100
80
60
40
20
0
0
20
40
60
80
100
MeOH
(%)
(%)
H2O
100
80
60
40
20
0
0
20
40
60
80
100
DMSO
(%)
H2O (pH)
9
8
7
6
5
4
3
Information
Version
5.0
Status
Detected but not Quantified
HMDB Name
Gallic acid
Structure
SMILES
OC(=O)C1=CC(O)=C(O)C(O)=C1
Description
Gallic acid is an organic acid, also known as 3,4,5-trihydroxybenzoic acid, found in gallnuts, sumac, witch hazel, tea leaves, oak bark, and other plants. The chemical formula is C6H2(OH)3CO2H. Gallic acid is widely distributed in plants and is found both free and as part of tannins. It is commonly used in the pharmaceutical industry. Gallic acid can also be used to synthesize the hallucinogenic alkaloid mescaline, also known as 3,4,5-trimethoxyphenethylamine. Salts and esters of gallic acid are termed gallates. Gallic acid has been found to be s metabolite of Aspergillus (PMID:24031294).
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
258 - 265 °C
Boiling Point
501.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
Water Solubility
11.9 mg/mL at 20 °C
LogP
0.70
HANSCH,C ET AL. (1995)
Biological Properties
Cellular Locations
N/A
Biospecimen Locations
Blood
Feces
Urine
Tissue Locations
N/A
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Blood
Detected and Quantified
2.09 +/- 0.22 uM
Adult (>18 years old)
Both
Normal
Blood
Detected and Quantified
0.008 +/- 0.005 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.003 +/- 0.001 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.01 +/- 0.005 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.007 +/- 0.003 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.002 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.002 +/- 0 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.001 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.005 +/- 0.004 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0-0.058 uM
Adult (>18 years old)
Both
Normal
Blood
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
11.874 +/- 0.353 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
12.0504 +/- 0.0588 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
12.873 +/- 1.411 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
13.873 +/- 4.526 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.019 +/- 0.052 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.38 +/- 0.092 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 413
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 413
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 413
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 413
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 413
Urine
Detected and Quantified
0.003 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.003 +/- 0.001 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.006 +/- 0.001 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.0533 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.073 +/- 0.06 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.0473 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.0617 +/- 0.0740 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.0267 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.213 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.107 +/- 0.160 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.110 +/- 0.130 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Abnormal Concentrations
Spectra
Type
Description
View
Predicted GC-MS
splash10-0fmi-1900000000-56bf9b5e0a68a9c0776a
Predicted GC-MS
splash10-00xu-4009300000-4326897e134d4856b180
Predicted GC-MS
Predicted GC-MS
Predicted LC-MS/MS
splash10-00di-0900000000-8e403dcee60bc20ba7b4
Predicted LC-MS/MS
splash10-0fb9-0900000000-20a78444c2179ed7730f
Predicted LC-MS/MS
splash10-00os-9800000000-3011ae50626d9c15fadd
Predicted LC-MS/MS
splash10-014i-0900000000-bceef5d1a34c38d340ed
Predicted LC-MS/MS
splash10-00or-0900000000-bbec391317d064ab4d89
Predicted LC-MS/MS
splash10-00or-8900000000-049b564c5923498a6f3e
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available