1,2,4-Trihydroxybenzene

Modify Date: 2025-08-21 12:15:52

1,2,4-Trihydroxybenzene Structure
1,2,4-Trihydroxybenzene structure
Common Name 1,2,4-Trihydroxybenzene
CAS Number 533-73-3 Molecular Weight 126.110
Density 1.5±0.1 g/cm3 Boiling Point 334.5±12.0 °C at 760 mmHg
Molecular Formula C6H6O3 Melting Point 140 °C (subl.)(lit.)
MSDS Chinese USA Flash Point 176.9±14.2 °C
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

 Use of 1,2,4-Trihydroxybenzene


1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1].

 Names

Name benzene-1,2,4-triol
Synonym More Synonyms

 1,2,4-Trihydroxybenzene Biological Activity

Description 1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1].
Related Catalog
References

[1]. Risa Kamae, et al. Hydroxyhydroquinone, a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes. Food Chem Toxicol. 2017 Apr;102:39-45.

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 334.5±12.0 °C at 760 mmHg
Melting Point 140 °C (subl.)(lit.)
Molecular Formula C6H6O3
Molecular Weight 126.110
Flash Point 176.9±14.2 °C
Exact Mass 126.031693
PSA 60.69000
LogP 0.06
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.677
InChIKey GGNQRNBDZQJCCN-UHFFFAOYSA-N
SMILES Oc1ccc(O)c(O)c1
Water Solubility freely soluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC4200000
CHEMICAL NAME :
1,2,4-Benzenetriol
CAS REGISTRY NUMBER :
533-73-3
BEILSTEIN REFERENCE NO. :
2042863
LAST UPDATED :
199710
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C6-H6-O3
MOLECULAR WEIGHT :
126.12
WISWESSER LINE NOTATION :
QR BQ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
122 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
10 umol/L
REFERENCE :
EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 82,81,1989

 Safety Information

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H315-H318-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S39-S36/37/39-S22
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DC4200000
HS Code 2907299090

 Customs

HS Code 2907299090
Summary 2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

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 1,2,4-TrihydroxybenzeneBioassay

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Source: ChEMBL
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External Id: CHEMBL4700001
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Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Source: ChEMBL
Target: N/A
External Id: CHEMBL4017664
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Selectivity ratio of Ki for recombinant human carbonic anhydrase 1 to Ki for recombin...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4017663
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Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4029993
Name: Antibacterial activity against Escherichia coli NBRC 102203 after overnight incubatio...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4029994
Name: Antibacterial activity against Staphylococcus aureus NBRC 100910 after overnight incu...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4029991
Name: Antibacterial activity against Bacillus subtilis NBRC 13719 after overnight incubatio...
Source: ChEMBL
Target: Bacillus subtilis
External Id: CHEMBL4029992
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 Synonyms

4-Hydroxycatechol
1,2,4-Trihydroxybenzene
1,2,4-Benzenetriol
1,3,4-Benzenetriol
1,2,3-Trihydroxybenzene
benzene-1,2,3-triol
EINECS 208-575-1
Hydroxyhydroquinone
Benzene-1,2,4-triol
Benzol-1,2,3-triol
1,2,3-Benzenetriol
gallol
4-06-00-07338 (Beilstein Handbook Reference)
MFCD00002198
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