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1,3,5-Triisopropylbenzene

Cat No.:V59558 Purity: ≥98%
1,3,5-Triisopropylbenzene is used as a fuel and fuel additive and also in lubricants and lubricant additives.
1,3,5-Triisopropylbenzene
1,3,5-Triisopropylbenzene Chemical Structure CAS No.: 717-74-8
Product category: Others 12
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
1,3,5-Triisopropylbenzene is used as a fuel and fuel additive and also in lubricants and lubricant additives. 1,3,5-Triisopropylbenzene is also used as a micelle expander.
1,3,5-Triisopropylbenzene (CAS 717-74-8), also known as 2,4,6-Triisopropylbenzene, is an aromatic hydrocarbon with the molecular formula C15H24 and a molecular weight of 204.35 g/mol. It is a clear, colorless liquid with a density of 0.845 g/mL and a boiling point of 232-236°C. This compound is a versatile chemical intermediate used in various industrial applications, including as a fuel additive, in lubricants, and as a micelle expander in the synthesis of hybrid periodic mesoporous organosilica for enzyme immobilization.
Biological Activity I Assay Protocols (From Reference)
Targets
1,3,5-Triisopropylbenzene is not a therapeutic compound and does not have specific biological targets. It is a chemical reagent and industrial solvent. However, it is commonly used as a micelle expander in the preparation of hybrid periodic mesoporous organosilica designed to improve the properties of immobilized enzymes. Its primary role in research is as a chemical tool for materials science and organic synthesis rather than as a pharmacologically active agent.
ln Vitro
1,3,5-Triisopropylbenzene is not evaluated for biological activity as it is not a therapeutic agent. It is a chemical intermediate and solvent. The compound is used as a micelle expander in materials science to improve the properties of immobilized enzymes. No specific in vitro biological activity data are available, as its applications are primarily in the field of chemistry and materials science.
ln Vivo
1,3,5-Triisopropylbenzene is not used as a therapeutic compound and has no in vivo biological activity. It is a chemical reagent used in industrial and research settings for synthesis and as a solvent. It is not administered to animals for pharmacological studies.
Enzyme Assay
No biological assay protocols for 1,3,5-Triisopropylbenzene are reported as it is not a biologically active compound. The compound is characterized by standard analytical chemistry methods such as GC (Gas Chromatography) for purity assessment and NMR for structural confirmation. Its physical properties, including density (0.845 g/mL), boiling point (232-236°C), and flash point (87°C), are well documented.
Cell Assay
1,3,5-Triisopropylbenzene is not used in cellular assays as it is not a biologically active compound. It is a chemical reagent used in organic synthesis and materials science. The compound has a molecular formula of C15H24 and a molecular weight of 204.35 g/mol. It is a clear, colorless liquid and is insoluble in water.
Animal Protocol
No in vivo protocols for 1,3,5-Triisopropylbenzene are reported. The compound is not used in animal studies for therapeutic research.
ADME/Pharmacokinetics
Pharmacokinetic data for 1,3,5-Triisopropylbenzene are not applicable as it is not a therapeutic compound. The compound has a molecular formula of C15H24 and a molecular weight of 204.35 g/mol. It is a volatile liquid with low water solubility.
Toxicity/Toxicokinetics
1,3,5-Triisopropylbenzene is a chemical reagent and should be handled with appropriate safety precautions. It is flammable and may cause irritation to skin, eyes, and respiratory tract. Standard laboratory safety practices should be followed, including the use of gloves, eye protection, and proper ventilation. The compound has a flash point of 87°C.
References

[1]. Kinetics of Desorption of 1,3-Diisopropylbenzene and 1,3,5-Triisopropylbenzene. 2. Diffusion in FCC Catalyst Particles by Zero Length Column Method. Ind. Eng. Chem. Res. 2015, 54, 16, 4572-4580.

Additional Infomation
1,3,5-Triisopropylbenzene is a versatile chemical intermediate used as a fuel additive, in lubricants, and as a micelle expander in materials science. Molecular formula: C15H24, molecular weight: 204.35 g/mol. No clinical applications exist. For research use only as a chemical reagent.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H24
Molecular Weight
204.36
Exact Mass
204.187
CAS #
717-74-8
PubChem CID
12860
Appearance
Colorless to light yellow liquid
Density
0.9±0.1 g/cm3
Boiling Point
238.6±20.0 °C at 760 mmHg
Melting Point
-14--11°C
Flash Point
86.7±0.0 °C
Vapour Pressure
0.1±0.2 mmHg at 25°C
Index of Refraction
1.486
LogP
6.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Heavy Atom Count
15
Complexity
133
Defined Atom Stereocenter Count
0
SMILES
C1(C([H])=C(C([H])=C(C=1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChi Key
VUMCUSHVMYIRMB-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
Chemical Name
1,3,5-tri(propan-2-yl)benzene
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)
Solubility Data
Solubility (In Vitro)
DMSO: 100 mg/mL (489.33 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.23 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 4.8933 mL 24.4666 mL 48.9333 mL
5 mM 0.9787 mL 4.8933 mL 9.7867 mL
10 mM 0.4893 mL 2.4467 mL 4.8933 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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