| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
| Targets |
2,3-Dimethyl-2,3-diphenylbutane does not target a specific protein or enzyme as a pharmacological agent. Its utility is as an industrial chemical and flame retardant synergist. The compound's mechanism of action in flame retardancy is chemical rather than biological, involving the promotion of char formation and radical scavenging during combustion. The compound may interact with biological systems if exposure occurs, but this is not a specific receptor-mediated interaction.
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|---|---|
| ln Vitro |
The in vitro activity of 2,3-dimethyl-2,3-diphenylbutane is related to its function as a flame retardant synergist. In brominated flame retardant systems, it can replace antimony trioxide, increasing flame retardant effectiveness while reducing the amount of flame retardant needed and improving polymer properties. The compound does not have pharmacological in vitro activities such as enzyme inhibition or receptor modulation.
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| ln Vivo |
2,3-Dimethyl-2,3-diphenylbutane is not used as a therapeutic agent. Its in vivo utility is limited to industrial applications as a flame retardant synergist. The compound is not intended for human therapeutic or diagnostic use.
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| Enzyme Assay |
In vitro assays for 2,3-dimethyl-2,3-diphenylbutane are not typically performed in the context of enzyme or receptor binding, as the compound is an industrial chemical rather than a drug candidate. However, the compound could be tested for its effects on cell viability or other cellular parameters in toxicological studies.
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| Cell Assay |
For in vitro cellular experiments, 2,3-dimethyl-2,3-diphenylbutane is not typically used in cell-based assays. The compound is primarily used in industrial applications as a flame retardant synergist.
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| Animal Protocol |
In vivo animal experiments with 2,3-dimethyl-2,3-diphenylbutane may be performed in the context of toxicological testing to assess its safety for industrial use. However, the compound is not used as a therapeutic candidate in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,3-dimethyl-2,3-diphenylbutane have not been characterized, as the compound is an industrial chemical rather than a drug candidate. The compound has a molecular weight of 238.37 g/mol and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
Toxicological data for 2,3-dimethyl-2,3-diphenylbutane indicates that it is not listed as a carcinogen by ACGIH, IARC, or NTP. The compound is intended for industrial use and standard safety precautions should be observed during handling.
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| References |
[1]. Di Somma I, et al. Kinetic and chemical characterization of thermal decomposition of dicumylperoxide in cumene. J Hazard Mater. 2011;187(1-3):157-163.
[2]. Wang H, et al. Improved Processing and Properties for Polyphenylene Oxide Modified by Diallyl Orthophthalate Prepolymer. Polymers (Basel). 2019;11(12):2016. Published 2019 Dec 5. |
| Additional Infomation |
2,3-Dimethyl-2,3-diphenylbutane (CAS#: 1889-67-4) is used as a flame retardant synergist in brominated flame retardant systems, where it can replace antimony trioxide. It is used in polyolefin plastics and polystyrene. The compound has no clinical or therapeutic applications.
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| Molecular Formula |
C18H22
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|---|---|
| Molecular Weight |
238.37
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| Exact Mass |
238.172
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| CAS # |
1889-67-4
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| PubChem CID |
74681
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| Appearance |
Off-white to yellow solid powder
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| Density |
0.95 g/cm3
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| Boiling Point |
306.1ºC at 760 mmHg
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| Melting Point |
90-110 °C
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| Flash Point |
142.7ºC
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| Vapour Pressure |
0.00143mmHg at 25°C
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| Index of Refraction |
1.5531 (23ºC)
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| LogP |
4.942
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
0
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
18
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| Complexity |
221
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(C([H])([H])[H])(C([H])([H])[H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C(C([H])([H])[H])(C([H])([H])[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
|
| InChi Key |
HGTUJZTUQFXBIH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
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| Chemical Name |
(2,3-dimethyl-3-phenylbutan-2-yl)benzene
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 25 mg/mL (104.88 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (10.49 mM) in 10% DMSO + 90% (20% SBE-β-CD in 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 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 2: ≥ 2.5 mg/mL (10.49 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 | 4.1952 mL | 20.9758 mL | 41.9516 mL | |
| 5 mM | 0.8390 mL | 4.1952 mL | 8.3903 mL | |
| 10 mM | 0.4195 mL | 2.0976 mL | 4.1952 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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