3513-81-3
2-Methylene-1,3-propanediol
CAS: 3513-81-3
Molecular Formula: C4H8O2
3513-81-3 - Names and Identifiers
| Name | 2-Methylene-1,3-propanediol |
| Synonyms | 2-Methylene-1 2-methylenepropane-1,3-diol 2-METHYLENE-1,3-PROPANEDIOL 2-Methylenepropane-1,3-diol 2-Methylene-1,3-propanediol 2-methylidenepropane-1,3-diol 2-Methylidenepropane-1,3-diol 1,3-Propanediol, 2-methylene- 2-(Hydroxymethyl)-2-propene-1-ol |
| CAS | 3513-81-3 |
| EINECS | 222-516-7 |
| InChI | InChI=1/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2 |
| InChIKey | JFFYKITVXPZLQS-UHFFFAOYSA-N |
3513-81-3 - Physico-chemical Properties
| Molecular Formula | C4H8O2 |
| Molar Mass | 88.11 |
| Density | 1.081 g/mL at 25 °C (lit.) |
| Boling Point | 93-95 °C/2 mmHg (lit.) |
| Flash Point | >230°F |
| Vapor Presure | 0.00867mmHg at 25°C |
| Appearance | Viscous Liquid |
| Color | Clear colorless to pale yellow |
| BRN | 1737653 |
| pKa | 14.14±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.473(lit.) |
| Use | Used as a pharmaceutical Intermediate |
3513-81-3 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29053990 |
3513-81-3 - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | 2-methylene -1, 3-propanediol is commonly known as isobutylene glycol, because of its unique methylene branched chain structure It can be used to synthesize platelet active factor impedance agent; it is also a cross-linking agent, which can esterify with alkyd and polyester resin, effectively improving the thermal stability of polymers. |
| preparation | raw materials and reagents dichloroisobutylene (CCMP), content 64%, self-made; N, N-dimethylformamide (DMF), dimethylsulfoxide (DMSO), A. R., Tianjin Komeo Reagent Research and Development Center; Sodium hydroxide and ethanol are analytically pure reagents. In a four-port kettle reactor equipped with a thermometer, a powerful stirrer, a reflux condenser tube and a feeding port, an alkaline hydrolysis agent is added, a constant temperature water bath is adjusted to reach the preset temperature, and 3-chloro-2-chloromethyl propylene and solvent are added under stirring. After a certain period of reaction, the oil phase and water phase of the reaction liquid are separated. The oil phase is desicrographically analyzed by drying; the water phase is desoled after distillation and concentration under reduced pressure. The structure of cold analysis products was GC-MS and identified. The better technological conditions for hydrolysis reaction are as follows: the volume ratio of lye to material is about 5:1, the mass fraction of lye is 10% (mass fraction), the dosage of DMF is 15% ~ 30% of the mass of 3-chloro-2-chloromethyl propylene, the best 20% ~ 25%, the appropriate reaction temperature is 92 ℃, and the time is 6h. At this time, the conversion rate of CCMP reaches more than 95%. |
| use | as a pharmaceutical intermediate |
Last Update：2024-04-10 22:29:15
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