Name
3-Hydroxybenzoic acid
CAS
99-06-9
HMDB ID
Synonyms
3-Carboxyphenol
3-Hydroxy benzoate
3-Hydroxy benzoic acid
3-Hydroxybenzoate
3-Hydroxybenzoic acid
Acido m-idrossibenzoico
Kyselina 3-hydroxybenzoova
Meta-hydroxybenzoate
Meta-hydroxybenzoic acid
m-Hba
m-Hydroxybenzoate
m-Hydroxybenzoic acid
m-Salicylate
m-Salicylic acid
Molecular formula
C7H6O3
Average molecular weight
138.12
Monoisotopic mass of parent ion
138.0317
Verified Purity
>99.9%
Solubility
N/A
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
3-Hydroxybenzoic acid
Structure
SMILES
OC(=O)C1=CC(O)=CC=C1
Description
3-Hydroxybenzoic acid, also known as 3-hydroxybenzoate or 3-carboxyphenol, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. 3-Hydroxybenzoic acid exists in all living organisms, ranging from bacteria to humans. Outside of the human body, 3-hydroxybenzoic acid is found, on average, in the highest concentration in american cranberries and beers. 3-hydroxybenzoic acid has also been detected, but not quantified in a few different foods, such as bilberries, citrus, and corns. As well, 3-Hydroxybenzoic Acid can be found in the pineapple fruit. It can also be formed by a Pseudomonas species from 3-Chlorobenzoic acid. 3-Hydroxybenzoic acid is a monohydroxybenzoic acid. 3-Hydroxybenzoic acid can be obtained by the alkali fusion of 3-sulfobenzoic acid between 210-220 °C. 3-Hydroxybenzoic acid is a component of castoreum, the exudate from the castor sacs of the mature North American beaver (Castor canadensis) and the European beaver (Castor fiber), used in perfumery.
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
202 °C
Boiling Point
Water Solubility
7.25 mg/mL at 25 °C
LogP
1.50
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
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Blood
Expected but not Quantified
Normal
Blood
Detected and Quantified
0.119 +/- 0.023 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.103 +/- 0.015 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.149 +/- 0.024 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.194 +/- 0.056 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.09 +/- 0.01 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.089 +/- 0.006 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.089 +/- 0.008 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
1.273 +/- 1.198 uM
Adult (>18 years old)
Male
Normal
Blood
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
4.272 +/- 4.416 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
4.561 +/- 2.317 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
6.878 +/- 3.548 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
7.530 +/- 9.774 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
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Not Specified
Normal
Feces
Detected and Quantified
0.340 (0.0652-1.260) nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
1.0 +/- 0.44 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 429
Urine
Detected and Quantified
0.121 +/- 0.036 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.135 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.00300-2.510 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
splash10-0079-6900000000-5fa59abbf3516f7f1f5d
Predicted GC-MS
splash10-00r6-7950000000-6f1a99dee5c832c26f1f
Predicted GC-MS
Predicted LC-MS/MS
splash10-000i-3900000000-8414bbe165f560962094
Predicted LC-MS/MS
splash10-000f-9400000000-65d56d101aeab33c87bd
Predicted LC-MS/MS
splash10-00kf-9000000000-8e8d3089786e50374c30
Predicted LC-MS/MS
splash10-000i-3900000000-09f6fef5d396e66708ec
Predicted LC-MS/MS
splash10-000f-9500000000-c48f64be4d63def93719
Predicted LC-MS/MS
splash10-0006-9000000000-587072f8cf909dafae1e
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available