Physicochemical Properties
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| Exact Mass | 154.062 |
| CAS # | 760-93-0 |
| Related CAS # | 25300-99-6 |
| PubChem CID | 12974 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 202.3±0.0 °C at 760 mmHg |
| Melting Point | -20°C |
| Flash Point | 84.4±0.0 °C |
| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
| Index of Refraction | 1.443 |
| LogP | 1.82 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 11 |
| Complexity | 202 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(C(C(=C([H])[H])C([H])([H])[H])=O)C(C(=C([H])[H])C([H])([H])[H])=O |
| InChi Key | DCUFMVPCXCSVNP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3 |
| Chemical Name | 2-methylprop-2-enoyl 2-methylprop-2-enoate |
| 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
| Toxicity/Toxicokinetics |
Toxicity Data LC50 (mice) = 450 mg/m3/2h Non-Human Toxicity Values LC50 Mouse ihl 450 mg/cu m/2 hr |
| References |
[1]. Copolymerization of methacrylic anhydride with vinyl monomers. Journal of Polymer Science. November 1961, 55(161):197-213. [2]. Functionalization of a poly(vinyl alcohol) in the solid state with a swelling agent by methacrylic anhydride. Polymer Chemistry. 1 April 2004, 42(7):1618-1629. |
| Additional Infomation | Methacrylic anhydride is a liquid. (EPA, 1998) |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~648.63 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.22 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (16.22 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (16.22 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4868 mL | 32.4338 mL | 64.8677 mL | |
| 5 mM | 1.2974 mL | 6.4868 mL | 12.9735 mL | |
| 10 mM | 0.6487 mL | 3.2434 mL | 6.4868 mL |