Name
3,5-Dihydroxybenzoic acid
CAS
99-10-5
HMDB ID
Synonyms
3,5-Dihydroxy-Benzoic acid
3,5-Dihydroxybenzoate
3,5-Dihydroxybenzoic acid
3,5-Dihydroxybenzoic acid (ACD/Name 4.0)
5-Carboxyresorcinol
Benzoate
Benzoic acid
a-Resorcylic acid
alpha-Resorcylic acid
Molecular formula
C7H6O4
Average molecular weight
154.12
Monoisotopic mass of parent ion
154.0266
Verified Purity
>99.9%
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
3,5-Dihydroxybenzoic acid
Structure
SMILES
OC(=O)C1=CC(O)=CC(O)=C1
Description
3,5-Dihydroxybenzoic acid (3,5-DHBA) is a primary metabolite of alkylresorcinols which has been hydrolyzed by liver enzymes during phase I metabolism after several cycles of beta-oxidation. 3,5-Dihydroxybenzoic acid is a potential urinary biomarker of whole grain intake (PMID: 15282102).
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
237 °C
Boiling Point
411.00 to 412.00 °C. @ 760.00 mm Hg (est)
The Good Scents Company Information System
Water Solubility
50980.0 mg/L @ 25 °C (est)
The Good Scents Company Information System
LogP
0.86
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 and Quantified
0.091 +/- 0.029 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.035 +/- 0.019 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.069 +/- 0.028 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.297 +/- 0.185 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.065 +/- 0.024 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.101 +/- 0.045 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.066 +/- 0.03 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.4 +/- 0.268 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.0940 +/- 0.0820 uM
Adult (>18 years old)
Female
Normal
Blood
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
1.168 +/- 0.843 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
1.168 +/- 1.363 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
1.363 +/- 1.0382 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
2.271 +/- 1.363 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 436
Urine
Detected and Quantified
0.218 +/- 0.124 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.269 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.0150-1.990 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
1.613 +/- 1.0400 umol/mmol creatinine
Adult (>18 years old)
Female
Normal
Urine
Detected and Quantified
2.187 +/- 1.440 umol/mmol creatinine
Adult (>18 years old)
Female
Normal
Urine
Detected and Quantified
0.33 umol/mmol creatinine
Adult (>18 years old)
Female
Normal
Urine
Detected and Quantified
0.42 umol/mmol creatinine
Adult (>18 years old)
Female
Normal
Urine
Detected and Quantified
1.787 +/- 1.0400 umol/mmol creatinine
Adult (>18 years old)
Female
Normal
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
None available
Spectra
Type
Description
View
Predicted GC-MS
splash10-0f79-2900000000-46dcc0b7ed6c27ee5f7c
Predicted GC-MS
splash10-05ai-4092000000-a4387f9715089c352d97
Predicted GC-MS
Predicted LC-MS/MS
splash10-0a4i-0900000000-004ea53dae9593c251b3
Predicted LC-MS/MS
splash10-0a4i-0900000000-8314761384814f791220
Predicted LC-MS/MS
splash10-03dl-9700000000-9ee7d6c075af3dc0245c
Predicted LC-MS/MS
splash10-0udi-0900000000-0fd6d253983c87b951d2
Predicted LC-MS/MS
splash10-0pb9-0900000000-fceb71e190d0e9b6a22a
Predicted LC-MS/MS
splash10-0a4i-7900000000-3f3552574ef874889467
Predicted LC-MS/MS
splash10-0bti-0900000000-74eac3492e2dc880b739
Predicted LC-MS/MS
splash10-052r-1900000000-e54b4355f1c22f9d7ba6
Predicted LC-MS/MS
splash10-014r-9100000000-e2fcd97e4e6a1d18054a
Predicted LC-MS/MS
splash10-0pb9-0900000000-8723f5ec68dd69c226c8
Predicted LC-MS/MS
splash10-0a4i-0900000000-83aa7ada53ca7119e12b
Predicted LC-MS/MS
splash10-00kf-9000000000-d56c533cac680e72de25
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available