2,5-Di-tert-butylhydroquinone (DTBHQ) is an indirect food additive that modulates 5-LO and COX-2 activities with IC50 of 1.8 and 14.1 μM respectively.

Physicochemical Properties

Molecular Formula	C14H22O2
Molecular Weight	222.33
Exact Mass	222.161
CAS #	88-58-4
PubChem CID	2374
Appearance	White to off-white solid powder
Density	1.0±0.1 g/cm3
Boiling Point	334.4±37.0 °C at 760 mmHg
Melting Point	216-218 °C(lit.)
Flash Point	151.5±21.1 °C
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.520
LogP	4.02
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Complexity	208
Defined Atom Stereocenter Count	0
InChi Key	JZODKRWQWUWGCD-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
Chemical Name	2,5-ditert-butylbenzene-1,4-diol
Synonyms	dt BHQ; dt-BHQ; 2,5-Di-tert-butylhydroquinone
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

ln Vitro	Arachidonic acid (AA) metabolism is impacted by DTBHQ in vitro at physiologically meaningful doses [1].
References	[1]. The influence of the quinone antioxidants tert-butylhydroquinone and 2,5-di-tert-butylhydroquinone on the arachidonic acid metabolism in vitro. Food and Agricultural Immunology. Volume 26, 2015-Issue 4.
Additional Infomation	2,5-di-tert-butylbenzene-1,4-diol is a member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~449.80 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (11.25 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 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 (11.25 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (11.25 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.4978 mL	22.4891 mL	44.9782 mL
	5 mM	0.8996 mL	4.4978 mL	8.9956 mL
	10 mM	0.4498 mL	2.2489 mL	4.4978 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.