| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
3-Isopropylphenyl diphenyl phosphate is an industrial flame retardant and does not have a specific biological target for therapeutic purposes. Its flame retardant mechanism involves the release of phosphoric acid radicals that quench free radicals in the gas phase and promote char formation on the material surface. Toxicologically, it is studied as an environmental contaminant and may be a weak endocrine disruptor. It is not intended to bind to any receptor or enzyme for pharmacological benefit.
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| ln Vitro |
In vitro, this compound is not used for biological activity or drug discovery. It is a chemical standard for analytical method development. For GC-MS analysis, it is dissolved in n-hexane (1 mg/mL). Calibration standards are prepared at 0.1-50 ug/mL. It is used to quantify OPEs in environmental samples (dust, water). It does not have direct biological activity in standard cell-based assays at low concentrations (nM-uM). It is a building block for chromatography standards.
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| ln Vivo |
In vivo, this compound is not administered for therapeutic purposes. It is used in animal studies as a model compound to investigate the bioaccumulation and metabolism of organophosphate flame retardants. In a 28-day feeding study in rats (e.g., 100 mg/kg/day), it may cause liver enlargement (hepatomegaly). It is not used in efficacy models.
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| Enzyme Assay |
General protocol for in vitro analytical use: Prepare a 1 mg/mL stock solution in n-hexane. Prepare calibration standards in hexane at 0.1, 0.5, 1, 5, 10, 25, 50, 100 ug/mL. Add 10 uL of internal standard (Triphenyl phosphate-d15, 10 ug/mL) per mL of standard. Inject 1 uL into a GC-MS with a DB-5MS column (30 m × 0.25 mm). Oven program: 80degC for 1 min, ramp 20degC/min to 320degC (5 min). Detect in EI mode, SIM ions m/z 368 (M+), 251. For sample preparation, extract water samples with dichloromethane, evaporate, and reconstitute. Store the compound at room temperature. For LC-MS, use C18 with water:acetonitrile (0.1% formic acid), positive mode, m/z 369 [M+H]+.
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| Cell Assay |
General protocol for in vitro cell-based experiments: Not applicable for biological activity.
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| Animal Protocol |
General protocol for in vivo animal experiments: For a toxicokinetic study, administer the compound (100 mg/kg, oral) in corn oil to male Sprague-Dawley rats (n=5). Collect blood at 0, 1, 2, 4, 8, 12, 24, 48 h. Extract plasma with ethyl acetate, evaporate, reconstitute in hexane, and analyze by GC-MS. The half-life is expected to be 6-12 hours. This study assesses systemic exposure.
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: This compound (MW 368.36) is a lipophilic liquid (LogP ~4-5). It is insoluble in water but soluble in organic solvents. If absorbed, it would distribute to fatty tissues (high Vd). It is metabolized by CYP450 enzymes (dealkylation). Elimination half-life may be long (days). For storage, it is a liquid, kept at room temperature in a sealed container. Stock solutions in hexane are stable at -20degC for 6 months.
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| Toxicity/Toxicokinetics |
General toxicity profile: This industrial chemical is a potential irritant and may be toxic to aquatic life. Standard safety precautions (gloves, lab coat, fume hood) should be used. For research use only.
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| Additional Infomation |
3-Isopropylphenyl diphenyl phosphate is also known as diphenyl (3-propan-2-ylphenyl) phosphate. It is a triaryl phosphate ester used as a flame retardant and a chromatographic standard. Its molecular formula is C21H21O4P. The product is for research, analytical, and forensic use only.
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| Molecular Formula |
C21H21O4P
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|---|---|
| Molecular Weight |
368.36
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| Exact Mass |
368.118
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| CAS # |
69515-46-4
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| PubChem CID |
155311
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| Appearance |
Typically exists as solids at room temperature
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
26
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| Complexity |
431
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
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| InChi Key |
PLBFTNYDDQQDME-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H21O4P/c1-17(2)18-10-9-15-21(16-18)25-26(22,23-19-11-5-3-6-12-19)24-20-13-7-4-8-14-20/h3-17H,1-2H3
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| Chemical Name |
diphenyl (3-propan-2-ylphenyl) phosphate
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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 | 2.7147 mL | 13.5737 mL | 27.1474 mL | |
| 5 mM | 0.5429 mL | 2.7147 mL | 5.4295 mL | |
| 10 mM | 0.2715 mL | 1.3574 mL | 2.7147 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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