| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
Not applicable. Butyl diphenyl phosphate is an industrial flame retardant and has no specific biological target for therapeutic purposes. In toxicological research, it has been studied as an environmental contaminant and may act as a weak anti-androgen or thyroid hormone disruptor, but these are off-target effects. It is also a plasticizer, reducing the glass transition temperature of polymers. It is not intended to bind to any receptor or enzyme for pharmacological effect. Its main utility is chemical, not biological.
|
|---|---|
| ln Vitro |
In vitro, this compound is not used for biological activity or drug discovery. It is a chemical standard for analytical method validation. For GC-MS analysis, it is spiked into blank matrices (e.g., water, sediment) at 0.1-50 ug/mL to calibrate environmental monitoring methods. It does not exhibit significant enzyme inhibition or receptor modulation in standard drug screening assays at low concentrations. It may show weak inhibition of the androgen receptor at very high concentrations (100 uM) in reporter assays, but this is not a primary application.
|
| 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, persistence, and metabolism of organophosphate flame retardants. In a 28-day feeding study in rats, administration of 100 mg/kg/day may be performed to examine effects on liver enzymes or thyroid hormone levels. These are toxicological studies, not efficacy models. It is not used for disease treatment.
|
| 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, 50, 100 ug/mL. Add 10 uL of internal standard (e.g., 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: 70degC for 1 min, ramp 20degC/min to 300degC, hold 5 min. Detect in EI mode with SIM ions m/z 251, 153, 77. For environmental samples, extract water (100 mL) with 10 mL dichloromethane, dry over sodium sulfate, evaporate, and reconstitute in 1 mL hexane. Store the compound at room temperature. For LC-MS, use C18 column with water:acetonitrile (0.1% formic acid), positive mode, m/z 307 [M+H]+.
|
| Cell Assay |
General protocol for in vitro cell-based experiments: For endocrine disruption screening, culture MDA-kb2 cells in RPMI-1640 with 10% charcoal-stripped FBS. Seed in 96-well plates (1×10^4 cells/well). Treat with the compound (1-100 uM) and 1 nM DHT for 24 h. Measure luciferase activity. The compound may cause modest inhibition at 100 uM. Perform a parallel MTT assay to confirm no cytotoxicity. This is a toxicological hazard assessment, not drug discovery.
|
| 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 estimated at 6-12 hours. This study assesses systemic exposure, not therapeutic efficacy.
|
| ADME/Pharmacokinetics |
General pharmacokinetic properties: This compound (MW 306.29) is moderately lipophilic (LogP ~3.5). It is poorly soluble in water but miscible with organic solvents. If absorbed, it would be metabolized by CYP450 enzymes to diphenyl phosphate and butanol. Elimination half-life is expected to be a few hours. For storage, it is a viscous liquid, kept at room temperature in a sealed container. Stock solutions in hexane are stable at -20degC for 6 months.
|
| Toxicity/Toxicokinetics |
General toxicity profile: This industrial chemical is a potential irritant to skin, eyes, and respiratory tract. It is toxic to aquatic life with long-lasting effects. In a 28-day oral toxicity study in rats, the NOAEL for liver effects was approximately 100 mg/kg/day. It may cause liver hypertrophy at higher doses. GHS hazard statements may include H302, H315, H319, and H411. Standard safety precautions (gloves, lab coat, fume hood) should be used.
|
| References | |
| Additional Infomation |
Butyl diphenyl phosphate is also known as Diphenyl butyl phosphate. It is an organophosphate flame retardant used as a replacement for polybrominated diphenyl ethers. Its molecular formula is C16H19O4P, and it is a clear, viscous liquid. It is used as a plasticizer and flame retardant in electronic equipment and textiles. The product is strictly for research, analytical, and forensic use only, not for human consumption.
|
| Molecular Formula |
C16H19O4P
|
|---|---|
| Molecular Weight |
306.29
|
| Exact Mass |
306.102
|
| CAS # |
2752-95-6
|
| PubChem CID |
17682
|
| Appearance |
Typically exists as solids at room temperature
|
| Hydrogen Bond Donor Count |
0
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
21
|
| Complexity |
298
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
|
| InChi Key |
DIBUFQMCUZYQKN-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
|
| Chemical Name |
butyl diphenyl phosphate
|
| 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 (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
|
|---|---|
| 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 | 3.2649 mL | 16.3244 mL | 32.6488 mL | |
| 5 mM | 0.6530 mL | 3.2649 mL | 6.5298 mL | |
| 10 mM | 0.3265 mL | 1.6324 mL | 3.2649 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
