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Merck
CN

493864

2,4,5-Trihydroxybenzaldehyde

99%

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About This Item

Linear Formula:
(HO)3C6H2CHO
CAS Number:
Molecular Weight:
154.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99%
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Quality Level

assay

99%

mp

223-225 °C (lit.)

functional group

aldehyde

SMILES string

[H]C(=O)c1cc(O)c(O)cc1O

InChI

1S/C7H6O4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-3,9-11H

InChI key

WNCNWLVQSHZVKV-UHFFFAOYSA-N

General description

2,4,5-Trihydroxybenzaldehyde (2,4,5-THBA) is a tri-substituted benzaldehyde that can be prepared from sesamol. Its free radical-quenching ability, antioxidant bioactivity and cytotoxicity have been assessed. 2,4,5-THBA has been identified as one of the components in the ethyl acetate extract of Beta vulgaris var. cicla seeds. The freezing point, boiling point, density and refractive index of 2,4,5-THBA are 499.65K, 510.61K, 1.3725g/cm3 and 1.6400, respectively.

Application

2,4,5-Trihydroxybenzaldehyde may be used in the synthesis of:
  • 2,4,5-tribenzyloxybenzaldehyde
  • 2,4,5-trihydroxybenzaldehyde N-(diphenylmethylene)hydrazine
  • 2-hydroxy-4,5-dimethoxybenzaldehyde


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Stephen J Mills et al.
Chembiochem : a European journal of chemical biology, 9(11), 1757-1766 (2008-06-25)
Novel benzene polyphosphates were synthesised as inositol polyphosphate mimics and evaluated against type-I inositol 1,4,5-trisphosphate 5-phosphatase, which only binds soluble inositol polyphosphates, and against the PH domain of protein kinase Balpha (PKBalpha), which can bind both soluble inositol polyphosphates and
T H Tseng et al.
Toxicology, 161(3), 179-187 (2001-04-12)
As part of our earlier search for new compounds with improved biological activities including antioxidant, anti-inflammatory, and tumor growth inhibition activities, we synthesized 2,4,5-trihydroxybenzaldehyde (2,4,5-THBA) from commercially available Sesamol. First we examined the free radical-quenching capacity of 2,4,5-THBA, 3,4-dihydroxybenzaldehyde (3,4-DHBA)
Ahluwalia VK.
Intermediates for Organic Synthesis, 51-51 (2010)



Global Trade Item Number

SKUGTIN
493864-1G04061832407692