Name
Pyrogallol
CAS
87-66-1
HMDB ID
Synonyms
1,2,3-Benzenetriol
1,2,3-Benzenetriol (ACD/Name 4.0)
1,2,3-Trihydroxy-Benzene
1,2,3-Trihydroxybenzen
1,2,3-Trihydroxybenzen (CZECH)
1,2,3-Trihydroxybenzene
2,3-Dihydroxyphenol
Benzene-1,2,3-triol
C.I. Oxidation Base 32
Fouramine Brown AP
Fouramine base ap
Fourrine 85
Fourrine PG
Phenol
Piral
Pyro
Pyrogallic acid
Pyrogallol
Molecular formula
C6H6O3
Average molecular weight
126.11
Monoisotopic mass of parent ion
126.0317
Verified Purity
>99.99
Solubility
Ethanol (50 mg/ml), water (625 mg/ml), alcohol (769.23 mg/ml), ether (625 mg/ml)
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
1,2,3-Trihydroxybenzene
Structure
SMILES
[H]OC1=CC=CC(O[H])=C1O[H]
Description
1,2,3-Trihydroxybenzene, or pyrogallol is a benzenetriol. It is a white crystalline powder and a powerful reducing agent. It was first prepared by Scheele 1786 by heating gallic acid. An alternate preparation is heating para-chlorophenoldisulphonic acid with potassium hydroxide. 1,2,3-Trihydroxybenzene has been found to be a metabolite of Aspergillus (https://www.tandfonline.com/doi/pdf/10.1080/00021369.1982.10865473).
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
133 °C
Boiling Point
Water Solubility
507.0 mg/mL at 25 °C
LogP
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
Expected but not Quantified
Normal
Blood
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.07 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Bladder cancer
Spectra
Type
Description
View
Predicted GC-MS
splash10-004i-8900000000-86a07f617d9e8a040199
Predicted GC-MS
splash10-00fu-7394000000-523c320e6717d1157dae
Predicted GC-MS
Predicted LC-MS/MS
splash10-004i-0900000000-912d8a287d687cb0d66c
Predicted LC-MS/MS
splash10-004i-2900000000-e3d143390169f9266a86
Predicted LC-MS/MS
splash10-014i-9100000000-8d1d0e03dd45599fc9c0
Predicted LC-MS/MS
splash10-004i-0900000000-ea97e3db0a8790646d2e
Predicted LC-MS/MS
splash10-004i-1900000000-b3160bcc0b389cf211d9
Predicted LC-MS/MS
splash10-016v-9300000000-bc0f8f26aacd70e402fe
Predicted LC-MS/MS
splash10-0a6r-2900000000-4e851cb501d3e45affc9
Predicted LC-MS/MS
splash10-001i-9100000000-3358a867a0e9fb9492b9
Predicted LC-MS/MS
splash10-0udr-9000000000-b92ddc7dd0d4d7cf8081
Predicted LC-MS/MS
splash10-004i-0900000000-5fac22aad109814b92dd
Predicted LC-MS/MS
splash10-016r-9200000000-8a4799a05e6d74dbb2cd
Predicted LC-MS/MS
splash10-014l-9000000000-1afa6f5c853d02418a3a
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available