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Trioctyl trimellitate-d6

Cat No.:V86314 Purity: ≥98%
Trioctyl trimellitate-d6
Trioctyl trimellitate-d6 Chemical Structure Product category: Isotope-Labeled Compounds
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
Other Sizes
Official Supplier of:
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Product Description
Trioctyl trimellitate-d6 is deuterium-labeled trioctyl trimellitate. Trioctyl trimellitate is a plasticizer.
Trioctyl trimellitate-d6 (CAS 552.82) is a deuterium-labeled analog of trioctyl trimellitate (TOTM), a widely used plasticizer known for its high thermal stability and resistance to extraction. Its molecular formula is C₃₃H₄₈D₆O₆ with a molecular weight of 552.82. The compound is labeled with six deuterium atoms, resulting in a +6 Da mass difference relative to unlabeled TOTM (C₃₃H₅₄O₆, MW 546.78). It is used as an internal standard for analytical applications.
Biological Activity I Assay Protocols (From Reference)
Targets
Trioctyl trimellitate-d6 does not have a biological target; it is a stable isotope-labeled compound used as an analytical standard. The unlabeled compound, trioctyl trimellitate, is a plasticizer that functions as a chemical additive to increase the flexibility of polymers. It does not exert pharmacological effects and is not intended to interact with biological receptors or enzymes.
ln Vitro
In vitro activity is not applicable to Trioctyl trimellitate-d6 as it is an analytical standard rather than a pharmacologically active compound. The compound is characterized by its physicochemical properties, including its deuterium labeling and mass spectrometric behavior. Its utility is demonstrated through its use as an internal standard in quantitative analysis.
ln Vivo
In vivo activity is not applicable to Trioctyl trimellitate-d6. The compound is not administered in vivo for therapeutic purposes. As a plasticizer, trioctyl trimellitate has low toxicity and is not intended for biological activity. The deuterated analog is used exclusively for research and analytical applications.
Enzyme Assay
In vitro enzyme/receptor binding assays are not applicable to Trioctyl trimellitate-d6. The compound is used as an analytical standard for mass spectrometry and chromatography. Standard characterization includes NMR spectroscopy to confirm deuterium incorporation, HPLC or GC to assess purity, and mass spectrometry for molecular weight confirmation.
Cell Assay
In vitro cellular assays are not performed on Trioctyl trimellitate-d6. The compound is used as a chemical standard in analytical method development rather than a biological test agent. Its primary evaluation involves chemical properties such as solubility in organic solvents and stability under storage conditions.
Animal Protocol
In vivo animal studies are not conducted on Trioctyl trimellitate-d6. The compound is a stable isotope-labeled standard used in analytical chemistry. Toxicological and pharmacokinetic studies would be performed on the unlabeled compound, trioctyl trimellitate, which is a widely used plasticizer with established safety data.
ADME/Pharmacokinetics
Pharmacokinetic studies are not performed on Trioctyl trimellitate-d6. The compound is an analytical standard and not a drug candidate. Its physicochemical properties, such as solubility and stability, are characterized for analytical applications. The compound is stored at room temperature and is stable for long periods.
Toxicity/Toxicokinetics
Toxicological studies are not conducted on Trioctyl trimellitate-d6. The unlabeled compound, trioctyl trimellitate, is a plasticizer with low toxicity and is considered safe for use in consumer products. Standard safety precautions for handling chemical standards apply.
References

[1].Comparative study of the leachability of di(2-ethylhexyl) phthalate and tri(2-ethylhexyl) trimellitate from haemodialysis tubing. Int J Pharm. 2001 Oct 23;229(1-2):139-46.

Additional Infomation
Trioctyl trimellitate-d6 is a deuterium-labeled analog of trioctyl trimellitate (TOTM), a plasticizer. It is used as an internal standard for the quantitation of trioctyl trimellitate in environmental and biological samples using GC-MS or LC-MS/MS. The compound is labeled with six deuterium atoms. This product is for research use only and is not intended for human or veterinary therapeutic use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C33H48D6O6
Molecular Weight
552.82
Appearance
Colorless to light yellow liquid
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 (~180.89 mM; with sonication)
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.8089 mL 9.0445 mL 18.0891 mL
5 mM 0.3618 mL 1.8089 mL 3.6178 mL
10 mM 0.1809 mL 0.9045 mL 1.8089 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:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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)
  • Click the “Calculate” button
  • 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
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • 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.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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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