Name
Phloroglucinol
CAS
108-73-6
HMDB ID
Synonyms
1,3, 5-Trihydroxybenzene
1,3,5-Benzenetriol
1,3,5-Benzenetriol (ACD/Name 4.0)
1,3,5-Trihydroxy-Benzene
1,3,5-Trihydroxybenzene
1,3,5-Trihydroxycyclohexatriene
1,3,5-Triol
3,5-Dihydroxyphenol
5-Benzenetriol
5-Hydroxyresorcinol
5-Oxyresorcinol
5-Oxyresorcinolphloroglucin
Benzene, trihydroxy
Benzene-1,3,5-triol
Benzene-S-triol
Dilospan S
Floroglucin
Floroglucinol
Phloroglucin
Phloroglucine
Phloroglucinol
Phloroglucinol (1,3,5-benzenetriol)
Phloroglucinol (JAN)
S-Trihydroxybenzene
Spasfon-Lyoc
Sym-Trihydroxybenzene
Molecular formula
C6H6O3
Average molecular weight
126.11
Monoisotopic mass of parent ion
126.0317
Verified Purity
>99.99
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 and Quantified
HMDB Name
1,3,5-Trihydroxybenzene
Structure
SMILES
OC1=CC(O)=CC(O)=C1
Description
Phloroglucinol is a benzenetriol. It is an organic compound that is used in the synthesis of pharmaceuticals and explosives. This molecule exists in two forms, or tautomers, 1,3,5-trihydroxybenzene, which has phenol-like, and 1,3,5-cyclohexanetrione (phloroglucin), which has ketone-like character. These two tautomers are in equilibrium. Phloroglucinol is a useful intermediate because it is polyfunctional. 1,3,5-Trihydroxybenzene has been found to be a metabolite in Pseudomonas (PMID: 15826166).
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
218.5 °C
Boiling Point
Water Solubility
10.6 mg/mL at 20 °C
LogP
0.16
Biological Properties
Cellular Locations
N/A
Biospecimen Locations
Feces
Tissue Locations
N/A
Normal Concentrations
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
None available
Spectra
Type
Description
View
Predicted GC-MS
splash10-004i-1900000000-dd0ed35d23318896d1b9
Predicted GC-MS
splash10-00di-9266000000-2317d43ce1d2bdb60083
Predicted GC-MS
Predicted GC-MS
Predicted LC-MS/MS
splash10-004i-0900000000-85c95c94bd781f89f712
Predicted LC-MS/MS
splash10-004i-0900000000-75dcf760031bb09416a1
Predicted LC-MS/MS
splash10-0a4i-2900000000-8f7164ec36db279bbbbf
Predicted LC-MS/MS
splash10-004i-0900000000-09436c8cdb204e5cecb4
Predicted LC-MS/MS
splash10-004i-0900000000-46ba64f6b6c946b31aae
Predicted LC-MS/MS
splash10-004i-6900000000-776dffab62c69a4b4b02
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available