Name
Resorcinol
CAS
108-46-3
HMDB ID
Synonyms
1,3-Dihydroxy-Benzene
1,3-Dihydroxybenzene
3-Hydroxyphenol
FEMA 3589
Resorcin
Resorcinol, 8CI
Resorzin
Rezorsine
m-Benzenediol
m-Dihydroxybenzene
m-Dioxybenzene
m-Hydroquinone
m-Hydroxy-Phenol
m-Hydroxyphenol
Molecular formula
C6H6O2
Average molecular weight
110.11
Monoisotopic mass of parent ion
110.0368
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
Predicted
HMDB Name
1,3-Benzenediol
Structure
SMILES
OC1=CC(O)=CC=C1
Description
1,3-Benzenediol, also known as resorcin or m-hydroquinone, belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. 1,3-Benzenediol exists in all living organisms, ranging from bacteria to humans. 1,3-Benzenediol is a creamy, hawthorn, and musty tasting compound. 1,3-Benzenediol has been detected, but not quantified, in several different foods, such as alcoholic beverages, cereals and cereal products, coffee and coffee products, eggplants, and java plums. This could make 1,3-benzenediol a potential biomarker for the consumption of these foods. 1,3-Benzenediol is a potentially toxic compound. In addition, exogenous ochronosis is associated with prolonged exposure to resorcinol . Data regarding the specific mechanisms of action of resorcinol does not appear to be readily accessible in the literature. Nevertheless, the role played by iodide ions in the irreversible inactivation of the enzymes is not yet fully elucidated . Resorcinol works by helping to remove hard, scaly, or roughened skin. In particular, it appears that resorcinol indicated for treating acne, dermatitis, or eczema in various skin care topical applications and peels revolves around the compound's ability to precipitate cutaneous proteins from the treated skin . In LPO and TPO, the resulting π-cation radical of the porphyrin can isomerize to a radical cation with the radical in an aromatic side chain of the enzyme . In vitro and in vivo studies have demonstrated that resorcinol can inhibit peroxidases in the thyroid and subsequently block the synthesis of thyroid hormones and cause goiter .
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
111 °C
Boiling Point
178.00 °C. @ 16.00 mm Hg
The Good Scents Company Information System
Water Solubility
717.0 mg/mL at 25 °C
LogP
0.80
Biological Properties
Cellular Locations
Cytoplasm
Extracellular
Biospecimen Locations
N/A
Tissue Locations
N/A
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
None available
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
None available
Spectra
Type
Description
View
Predicted GC-MS
splash10-03di-3900000000-523ce2d2022aff1e8307
Predicted GC-MS
splash10-00ei-7940000000-20d1bf1b6588a896d381
Predicted GC-MS
Predicted LC-MS/MS
splash10-03di-0900000000-920e234b400dba4e5f87
Predicted LC-MS/MS
splash10-03di-0900000000-b7e895b1f7ab851eecff
Predicted LC-MS/MS
splash10-03xu-9300000000-91340faf902dd2ba7d1f
Predicted LC-MS/MS
splash10-0a4i-0900000000-64036e30d95c257972de
Predicted LC-MS/MS
splash10-0a4i-0900000000-e75dbf262b9b2cf88b20
Predicted LC-MS/MS
splash10-0aou-9300000000-6fec697f0a62d05e0740
Predicted LC-MS/MS
splash10-03di-0900000000-fd10fd64675560620b8d
Predicted LC-MS/MS
splash10-03xr-9600000000-b1d387d2d4ab01180df9
Predicted LC-MS/MS
splash10-000i-9000000000-596a7612f830d3e5368f
Predicted LC-MS/MS
splash10-0a4i-1900000000-390a7eb266152d83c925
Predicted LC-MS/MS
splash10-0a4i-6900000000-ad5c8e451745f725a898
Predicted LC-MS/MS
splash10-0006-9000000000-8b485ce5f0cbe4811afb
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available