1,2,4-Trihydroxybenzene (Hydroxyhydroquinone) is a by-product of coffee bean roasting and can increase Ca2+ concentration in rat thymus lymphocytes.

Physicochemical Properties

Molecular Formula	C6H6O3
Molecular Weight	126.11
Exact Mass	126.031
CAS #	533-73-3
PubChem CID	10787
Appearance	Brown to gray solid powder
Density	1.5±0.1 g/cm3
Boiling Point	334.5±12.0 °C at 760 mmHg
Melting Point	140 °C (subl.)(lit.)
Flash Point	176.9±14.2 °C
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.677
LogP	0.06
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Complexity	94.3
Defined Atom Stereocenter Count	0
InChi Key	GGNQRNBDZQJCCN-UHFFFAOYSA-N
InChi Code	InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
Chemical Name	benzene-1,2,4-triol
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. Hydroxyhydroquinone, a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes. Food Chem Toxicol. 2017 Apr;102:39-45.
Additional Infomation	Benzene-1,2,4-triol is a benzenetriol carrying hydroxy groups at positions 1, 2 and 4. It has a role as a mouse metabolite. 1,2,4-Benzenetriol has been reported in Dothiorella vidmadera, Begonia nantoensis, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (396.48 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (19.82 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (19.82 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	7.9296 mL	39.6479 mL	79.2959 mL
	5 mM	1.5859 mL	7.9296 mL	15.8592 mL
	10 mM	0.7930 mL	3.9648 mL	7.9296 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.