Physicochemical Properties
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.19 |
| Exact Mass | 152.083 |
| CAS # | 700-13-0 |
| PubChem CID | 12785 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 298.3±35.0 °C at 760 mmHg |
| Melting Point | 169-172 °C(lit.) |
| Flash Point | 146.3±20.5 °C |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.573 |
| LogP | 2.03 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 11 |
| Complexity | 136 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O([H])C1C(C([H])([H])[H])=C([H])C(=C(C([H])([H])[H])C=1C([H])([H])[H])O[H] |
| InChi Key | AUFZRCJENRSRLY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3 |
| Chemical Name | 2,3,5-trimethylbenzene-1,4-diol |
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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
| Toxicity/Toxicokinetics |
Toxicity Data LC50 (rat) = 1,500 mg/m3/4hr |
| References |
[1]. Y.Ichikawa, et al. A New Process for the Production of Trimethylhydroquinone. Cite this: Ind. Eng. Chem. Prod. Res. Dev. 1979, 18. [2]. N Kawasaki, et al. Synthesis of trimethylhydroquinone derivatives as anti-allergic agents with anti-oxidative actions. Chem Pharm Bull (Tokyo). 1999 Feb;47(2):177-81. |
| Additional Infomation | 2,3,5-trimethylhydroquinone is a member of the class of hydroquinones that is hydroquinone substituted by methyl groups at positions 2, 3 and 5. It is a member of hydroquinones and a methylbenzene. |
Solubility Data
| Solubility (In Vitro) | DMSO: 66.67 mg/mL (438.07 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.43 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 (16.43 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 (16.43 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 | 6.5707 mL | 32.8537 mL | 65.7073 mL | |
| 5 mM | 1.3141 mL | 6.5707 mL | 13.1415 mL | |
| 10 mM | 0.6571 mL | 3.2854 mL | 6.5707 mL |