| Size | Price | |
|---|---|---|
| 500g | ||
| Other Sizes |
| Targets |
Tris(2-ethylhexyl) phosphate has no therapeutic target; it is an industrial chemical. It exhibits glucocorticoid receptor (GR) antagonistic activity and may act as an endocrine disruptor. It is an organophosphorus flame retardant. The mechanism of flame retardancy is believed to involve the release of phosphoric acid upon heating, which promotes char formation and inhibits the combustion process. It does not have a defined pharmacological target for therapeutic use.
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|---|---|
| ln Vitro |
In vitro, Tris(2-ethylhexyl) phosphate is used as a neutral carrier to make organic ammonium ion-selective membrane electrodes. It is also used to study the toxicity of organophosphate flame retardants. In cell-based assays, it may cause cytotoxicity at high concentrations (CC₅0 in the range of 50-200 uM). It has been shown to have CYP3A4 inhibitory activity and L3MBTL1 activity. Specific IC₅0 values for enzyme inhibition are not provided.
|
| ln Vivo |
In vivo, Tris(2-ethylhexyl) phosphate is an environmental pollutant with considerable ecological toxicity. The acute oral LD₅0 in rats is >2000 mg/kg. It is not used as a drug. It is a plasticizer and flame retardant used in industrial products. In animal studies, chronic exposure may cause liver and kidney toxicity. It may also have endocrine-disrupting effects. No therapeutic in vivo activity is reported.
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| Enzyme Assay |
Not applicable. Tris(2-ethylhexyl) phosphate is an industrial chemical, not a standard enzyme inhibitor. Its purity (>97%) is assessed by GC. Physicochemical properties: MW 434.64, colorless to pale yellow viscous liquid, boiling point 215degC (4 mmHg), density 0.92 g/mL, flash point 207degC, soluble in organic solvents (ethanol, acetone), insoluble in water. The compound is used as a plasticizer and flame retardant. For environmental analysis, it is extracted from water samples by solid-phase extraction and analyzed by GC-MS.
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| Cell Assay |
Not applicable. Tris(2-ethylhexyl) phosphate is not used in standard cell-based assays for drug discovery. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with the compound (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be >50 uM, indicating moderate to high cytotoxicity. The compound is an industrial chemical, not a test agent for pharmacological studies.
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| Animal Protocol |
For acute oral toxicity testing, female Sprague-Dawley rats (n=5/group) are administered a single oral dose of Tris(2-ethylhexyl) phosphate in corn oil at 500, 1000, 2000, 5000 mg/kg and observed for 14 days for mortality and clinical signs. The LD₅0 is >2000 mg/kg. For a 28-day repeat dose toxicity test, rats are administered 2000 mg/kg/day orally for 28 days. For reproduction toxicity, a one-generation reproduction toxicity study is performed according to OECD TG 443. The compound may cause liver and kidney toxicity at high doses.
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| ADME/Pharmacokinetics |
Tris(2-ethylhexyl) phosphate (MW 434.64, LogP > 6) is highly lipophilic and has very low water solubility (0.6 mg/L at 24degC). Following oral administration, it is absorbed from the gastrointestinal tract and distributes to adipose tissue, liver, and other organs. It is metabolized in the liver by CYP450 enzymes (ester hydrolysis and oxidative dealkylation). The elimination half-life is expected to be long (days to weeks). For research use, it is stored at room temperature in a tightly sealed container.
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| Toxicity/Toxicokinetics |
For Tris(2-ethylhexyl) phosphate, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation), H413 (May cause long-lasting harmful effects to aquatic life). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P273 (Avoid release to the environment), P280 (Wear protective gloves/protective clothing/eye protection/face protection). Storage: at room temperature, sealed.
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| References | |
| Additional Infomation |
Tris(2-ethylhexyl) phosphate is a colorless to pale yellow transparent liquid with a slightly pungent odor. (NTP, 1992) Tris(2-ethylhexyl) phosphate is a trialkyl phosphate ester.
Tris(2-ethylhexyl) phosphate (TEHP; CAS# 78-42-2) is a research-grade organophosphorus flame retardant and plasticizer standard. It is not an FDA-approved drug. It is used as a reference standard for environmental analysis, for quality control in plastic manufacturing, and in toxicology studies. For research and industrial use only, not for diagnostic or therapeutic applications. |
| Molecular Formula |
C24H51O4P
|
|---|---|
| Molecular Weight |
434.64
|
| Exact Mass |
434.352
|
| CAS # |
78-42-2
|
| Related CAS # |
Tris(2-ethylhexyl) phosphate-d17;1259188-37-8
|
| PubChem CID |
6537
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| Appearance |
Liquid
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| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
405.5±0.0 °C at 760 mmHg
|
| Melting Point |
-94 °F (NTP, 1992)
; -74 °C
; -74 °C
|
| Flash Point |
206.6±39.3 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.447
|
| LogP |
10.09
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
21
|
| Heavy Atom Count |
29
|
| Complexity |
345
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=P(OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC
|
| InChi Key |
GTVWRXDRKAHEAD-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
|
| Chemical Name |
tris(2-ethylhexyl) phosphate
|
| Synonyms |
Trioctyl 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) |
DMSO: ~66.7 mg/mL (~153.4 mM; with ultrasonication)
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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 | 2.3008 mL | 11.5038 mL | 23.0075 mL | |
| 5 mM | 0.4602 mL | 2.3008 mL | 4.6015 mL | |
| 10 mM | 0.2301 mL | 1.1504 mL | 2.3008 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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