Physicochemical Properties
| Molecular Formula | (C8H8O3S)X |
| Molecular Weight | 184.21232 |
| Exact Mass | 184.019 |
| CAS # | 28210-41-5 |
| Related CAS # | 28210-41-5;9080-79-9 |
| PubChem CID | 75905 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.11 g/mL at 25 °C |
| Boiling Point | 100°C |
| Melting Point | 1°C |
| Index of Refraction | n20/D 1.3718 |
| LogP | 2.667 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 12 |
| Complexity | 242 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C=CC1C=CC(S(=O)(O)=O)=CC=1 |
| InChi Key | MAGFQRLKWCCTQJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C8H8O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H,9,10,11) |
| Chemical Name | 4-ethenylbenzenesulfonic acid |
| 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) |
Biological Activity
| ln Vitro | In vitro, polystyrene causes 0.5 μm, 4 μm, and 10 μm PS-MPs to enter three different types of testicular cells (GC-1 cell line)[2]. |
| ln Vivo | The heart tissue contraction metrics, oxidative stress, and zebrafish activity are all negatively impacted by polystyrene (PS-MPs, particle sizes 3–12 µm; po; 21 d)[1]. In mice, polystyrene (PS-MPs; 4 μm and 10 μm; po; 24 h) causes PS-MPs to accumulate in the testis. It also causes spermatogenic cells to become abscissed and arranged disorderly, leading to multinucleated gonocytes in the seminiferous tubule[2]. Polystyrene (PS-MPs; po; 28 d) causes breakdown of the blood-testis barrier and promotes inflammation in the testicles[2]. |
| Toxicity/Toxicokinetics |
Effects During Pregnancy and Lactation ◉ Summary of Use during Lactation Because sodium polystyrene sulfonate is not orally absorbed, it is unlikely to reach the breastmilk or adversely affect the breastfed infant after maternal administration. No special precautions are required. A suspension of sodium polystyrene sulfonate has been added directly to breastmilk to lower the potassium concentration of milk for use in infants with renal impairment. In addition to lowering average potassium content by 65%, the calcium content of breastmilk was reduced by 84%. Infants given either expressed breastmilk, formula or a combination of both had their average serum potassium levels decreased by 24% from 6.3 to 4.8 mEq/L. Serum calcium and creatinine also decreased slightly. The infants had no clinically noticeable side effects. Addition of large amounts of sodium polystyrene sulfonate to artificial formula also lowers the calcium, copper, manganese, phosphorus, sulfur and zinc concentrations; whereas the iron, sodium and sulfur content of formulas are increased. Similar changes might occur with breastmilk. ◉ Effects in Breastfed Infants Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk Relevant published information was not found as of the revision date. |
| References | [1]. Dimitriadi A, et al. Adverse effects polystyrene microplastics exert on zebrafish heart - Molecular to individual level. J Hazard Mater. 2021 Aug 15;416:125969. |
| Additional Infomation | See also: Tolevamer (monomer of); Tolevamer Sodium (monomer of); Tolevamer Potassium Sodium (monomer of) ... View More ... |
Solubility Data
| Solubility (In Vitro) | H2O: 250 mg/mL |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300:Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.4286 mL | 27.1429 mL | 54.2859 mL | |
| 5 mM | 1.0857 mL | 5.4286 mL | 10.8572 mL | |
| 10 mM | 0.5429 mL | 2.7143 mL | 5.4286 mL |