| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
There is no specific biological target for this compound. The unlabeled parent compound, DOP, is an environmental contaminant and a known endocrine disruptor. The deuterated analog is not intended for biological target interaction but is strictly an analytical reference standard for monitoring the presence of DOP in the environment.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
There is no in vitro biological activity for this compound. Its use is exclusively for analytical detection. In cell-free assays, it is inert and serves as a control for extraction efficiency. In vitro studies on the unlabeled phthalate involve exposing cells to DOP; the labeled standard is then used to quantify the amount of DOP that has entered the cells. |
| ln Vivo |
There is no in vivo activity for the labeled standard. DOP is not a drug but an industrial chemical with known toxicity to the liver, kidneys, and reproductive system in animal studies. The labeled standard is used to precisely measure the levels of DOP in tissues from such studies to establish the dose-response relationship of its toxicity.
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| Enzyme Assay |
As an analytical standard, Dioctyl phthalate-d4 is not used in enzyme/receptor binding protocols. A typical analytical protocol involves preparing stock solutions in a non-polar solvent such as hexane or acetone. It is then spiked into samples (e.g., water, food extract) prior to extraction or directly into the final extract to correct for injection variations and matrix effects during gas chromatography-mass spectrometry analysis.
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| Cell Assay |
This compound is not used in cell-based experiments for its own activity. In a toxicology study, cells (e.g., testicular Sertoli cells) are exposed to unlabeled DOP. The cells are then lysed, and the deuterated standard is added to the lysate to quantify the amount of DOP taken up by the cells via LC-MS/MS.
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| Animal Protocol |
In a typical environmental toxicology study, rats are orally administered unlabeled DOP. Blood, urine, and tissue samples (e.g., liver, testes) are collected. The deuterated internal standard, Dioctyl phthalate-d4, is added to the homogenized samples. The samples are extracted, and the DOP concentration is determined by GC-MS or LC-MS/MS.
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| ADME/Pharmacokinetics |
As an analytical standard, Dioctyl phthalate-d4 is not used for PK studies itself. For in vivo analysis where it is used as a standard, it is formulated as a neat liquid or as a solution in an organic solvent like n-hexane at a known concentration (e.g., 1000 ug/mL). Working standard solutions are prepared by dilution.
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| Toxicity/Toxicokinetics |
General toxicity for the labeled standard is not typically evaluated separately, as it is used at trace levels. The unlabeled parent compound, DOP, is a potential human carcinogen and reproductive toxicant (endocrine disruptor). Standard safety precautions (gloves, fume hood) should be used when handling this chemical standard.
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| References | |
| Additional Infomation |
Dioctyl phthalate-d4 is a high-purity analytical standard. It is typically used for the quantification of di-n-octyl phthalate (DnOP) and other high molecular weight phthalates in consumer products, indoor dust, and biological samples. The four deuterium atoms allow for isotopic dilution, the gold standard for eliminating biases caused by sample preparation losses.
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| Molecular Formula |
C24H34D4O4
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|---|---|
| Molecular Weight |
394.58
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| Exact Mass |
394.302
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| CAS # |
93952-13-7
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| PubChem CID |
16212237
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| Appearance |
Colorless to light yellow liquid（Density：0.991 g/cm3）
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| Density |
0.991 g/mL at 25ºC
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| Boiling Point |
384ºC(lit.)
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| Melting Point |
-50ºC(lit.)
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| Flash Point |
405 °F
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| Index of Refraction |
n20/D 1.486(lit.)
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| LogP |
6.721
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
18
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| Heavy Atom Count |
28
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| Complexity |
369
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C1C([2H])=C([2H])C([2H])=C([2H])C=1C(=O)OCCCCCCCC)(=O)OCCCCCCCC
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| InChi Key |
MQIUGAXCHLFZKX-AMEAAFLOSA-N
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| InChi Code |
InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3/i13D,14D,17D,18D
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| Chemical Name |
dioctyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5343 mL | 12.6717 mL | 25.3434 mL | |
| 5 mM | 0.5069 mL | 2.5343 mL | 5.0687 mL | |
| 10 mM | 0.2534 mL | 1.2672 mL | 2.5343 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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