| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| 1g |
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| 5g |
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| Other Sizes |
| Targets |
Tri-(p-tert-butylphenyl) phosphate does not have a defined biological target as a drug; it is an industrial flame retardant. Its mechanism of action is physical/chemical rather than pharmacological: upon exposure to heat, it decomposes to form non-flammable gases (e.g., water vapor, carbon dioxide) and promotes char formation on the material surface, insulating it from oxygen. As an environmental contaminant, its similarity in structure to organophosphate pesticides raises concern for potential developmental neurotoxicity and endocrine disruption. It may also be a weak agonist of peroxisome proliferator-activated receptors (PPARs), though this is not well characterized. [21L44-L45][3L36-L37]
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| ln Vitro |
In vitro, Tri-(p-tert-butylphenyl) phosphate is not used for pharmacological activity assays. For environmental toxicology studies, its cytotoxic effects can be measured in cell lines (e.g., HepG2, SH-SY5Y) at concentrations of 1-100 uM for 24-72 h. It induces oxidative stress (ROS production), apoptosis (Annexin V/PI staining), and disrupts mitochondrial membrane potential (JC-1 assay). In neurotoxicology studies, it inhibits neurite outgrowth in neuronal cell lines at concentrations >10 uM. No specific enzyme inhibition IC50 is reported. DMSO used as solvent (≤0.1%). Positive control: other OPFRs (e.g., triphenyl phosphate). [3L20-L23]
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| ln Vivo |
No in vivo activity as a drug. The compound is an environmental contaminant. In animal exposure studies, rats dosed orally with TTBPP (10-100 mg/kg) show accumulation in adipose tissue, liver, and kidney. It is slowly metabolized (half-life days to weeks) and may cause hepatotoxicity and neurobehavioral effects at high doses (≥100 mg/kg). It has very low acute oral toxicity (LD50 >2000 mg/kg in rats). It is not administered for therapeutic efficacy. For research use only. [21L16-L21][3L20-L23]
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| Enzyme Assay |
Not applicable. Tri-(p-tert-butylphenyl) phosphate is an industrial chemical, not a drug candidate. For analytical quantification, a standard LC-MS/MS method is used: dissolve the compound in acetonitrile to prepare 1 mg/mL stock. Dilute to 0.1-100 ng/mL in mobile phase (acetonitrile:water 80:20). Inject onto C18 column (2.1×100 mm, 1.7 um). Mobile phase A: water (0.1% formic acid), B: acetonitrile (0.1% formic acid). Gradient: 60% B to 98% B over 5 min. Flow rate 0.3 mL/min. MS detection in positive ESI mode, MRM transition m/z 551.3 → 375.2. Quantify by external calibration. No binding assays. [21L4-L8]
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| Cell Assay |
For in vitro cytotoxicity assays, culture human hepatocarcinoma HepG2 cells or neuroblastoma SH-SY5Y cells in DMEM with 10% FBS at 37degC, 5% CO2. Seed cells in 96-well plates (1×10⁴ cells/well). Treat with Tri-(p-tert-butylphenyl) phosphate at 0.1, 1, 5, 10, 25, 50, 100 uM (0.1% DMSO) for 24-72 h. Measure viability by MTT (0.5 mg/mL, 4 h, read OD570). For ROS, load cells with DCFH-DA (10 microM, 30 min), treat, and measure fluorescence (Ex/Em 485/535 nm). For apoptosis, stain with Annexin V/PI, flow cytometry. Positive control: triphenyl phosphate (TPHP). Negative control: 0.1% DMSO. All experiments in triplicate. [3L20-L23]
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| Animal Protocol |
For in vivo toxicology studies, male Sprague-Dawley rats (200-250 g, n=5/group) are dosed orally with Tri-(p-tert-butylphenyl) phosphate at 10, 30, 100, 300 mg/kg in corn oil (5 mL/kg). Control rats receive corn oil only. Observe for 14 days for acute toxicity signs. At study endpoint, collect blood for serum chemistry (ALT, AST, BUN, creatinine) and hematology. Harvest liver, kidney, and adipose tissue for histopathology and for quantification of compound by LC-MS/MS. For chronic studies, rats are dosed daily for 28-90 days at 1-10 mg/kg. The compound shows low acute toxicity but may cause hepatocyte hypertrophy and fatty liver at high doses. [21L16-L21][3L20-L23]
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| ADME/Pharmacokinetics |
Tri-(p-tert-butylphenyl) phosphate has low water solubility (estimated 9.6×10-⁷ mg/L). After oral absorption, it distributes to adipose tissue, liver, and kidney due to high lipophilicity (LogP >6). The compound is metabolized slowly, primarily via hydroxylation and dealkylation, with a half-life (t½) in rats of approximately 7-14 days. Volume of distribution (Vd) is large (>10 L/kg). Clearance (CL) is primarily via biliary excretion and fecal elimination. No significant urinary excretion. For storage, powder at 2-8degC, protect from light. Solubility: chloroform, ethyl acetate, acetone. [21L16-L21][21L27-L30]
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| Toxicity/Toxicokinetics |
Tri-(p-tert-butylphenyl) phosphate is classified as "Very toxic to aquatic life with long lasting effects" (H410). It is a potential endocrine disruptor and developmental neurotoxicant based on structural similarity to organophosphate pesticides. Acute oral LD50 in rats >2000 mg/kg (low acute toxicity). In repeated-dose studies, high doses (≥100 mg/kg/day) cause hepatotoxicity, body weight loss, and neurobehavioral effects. The compound may be a skin and eye irritant. Standard safety precautions: avoid inhalation, ingestion, skin/eye contact; use PPE (gloves, lab coat, safety goggles); work in a fume hood. For research use only-not for human use. [3L8-L12][3L4-L7]
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| Additional Infomation |
CAS: 78-33-1. Molecular formula: C30H39O4P, molecular weight: 494.60. IUPAC name: tris(4-tert-butylphenyl) phosphate. Synonyms: TTBPP, Tris(p-tert-butylphenyl) phosphate. Appearance: white crystalline solid. Melting point: 101-103degC. Boiling point: >300degC (decomposes). Solubility: soluble in organic solvents (chloroform, ethyl acetate, acetone), insoluble in water. Uses: flame retardant, plasticizer, analytical standard. Storage: 2-8degC, protect from light. Not for human use. [21L4-L8][21L10-L12]
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| Molecular Formula |
C30H39O4P
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|---|---|
| Molecular Weight |
494.60
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| Exact Mass |
494.259
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| CAS # |
78-33-1
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| PubChem CID |
6530
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
35
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| Complexity |
594
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C
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| InChi Key |
LORSVOJSXMHDHF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
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| Chemical Name |
tris(4-tert-butylphenyl) 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) |
DMSO : ~25 mg/mL (~50.55 mM; with sonication)
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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 | 2.0218 mL | 10.1092 mL | 20.2184 mL | |
| 5 mM | 0.4044 mL | 2.0218 mL | 4.0437 mL | |
| 10 mM | 0.2022 mL | 1.0109 mL | 2.0218 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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