POLY(VINYL ETHYL ETHER) CAS#: 25104-37-4; 凯望编码 (ChemWhat Code): 51627
Identification
| 英文名 | POLY(VINYL ETHYL ETHER) |
| IUPAC Name | ethenoxyethane |
| 分子结构 |  |
| CAS编号 | 25104-37-4 |
| EINECS Number | 204-085-7 |
| MDL Number | MFCD0008446 |
| Beilstein Registry Number | No data available |
| 别名 | ethyl vinyl ethervinyl ethyl etherethylvinylether |
| 分子式 | C4H8N2S4 |
| 分子量 | 212.38 |
| InChI | InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10) |
| InChI Key | AWYFNIZYMPNGAI-UHFFFAOYSA-N |
| Canonical SMILES | C(CNC(=S)S)NC(=S)S |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2021/5109 | 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS | 2021 |
| JP2021/63012 | METHOD FOR PRODUCING FLUOROALKYLVINYL ETHER | 2021 |
| US2021/122769 | SILOXANE COMPOUND AND A METHOD FOR PREPARING THE SAME | 2021 |
Physical Data
| Appearance | Resin solution |
| Solubility | No data available |
| Flash Point | 9°C |
| Refractive index | n20/D 1.454(lit.) |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| -115.4 | |
| -115.8 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 33 | |
| 40 | 760 |
| 30 | 680 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.3775 | 589 | 20 |
| 1.3796 | 589 | 25 |
| 1.376 | 589 | 20 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 0.759 | 4 | 20 |
| 0.73 | 40 | |
| 0.7533 | 4 | 20 |
| 0.7625 | 14.5 | 17.5 |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Further physical properties of the complex | H2O | 24.85 | dimethyl sulfoxide |
| Stability constant of the complex with … | CCl4 | 24.9 | 4-Fluorophenol |
| Association with compound | acrylonitrile, cyclohexane | ||
| Dipole moment of the complex | cyclohexane | acrylonitrile | |
| Further physical properties of the complex | acrylonitrile, cyclohexane |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | benzene-d6 | 26.84 | 300 |
| Spectrum | 1H | 500 | ||
| Chemical shifts, Spectrum | 1H | CD2Cl2 | 20 | |
| Spin-spin coupling constants | acetone-d6 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Temperature (IR Spectroscopy), °C | Comment (IR Spectroscopy) |
| Spectrum | ambient temperature | ||
| Bands | 3050 – 1203 cm**(-1) | ||
| Spectrum | gas | 3136 – 131 cm**(-1) | |
| Spectrum | solid | -253.2 – -193.2 | 3115 – 73 cm**(-1) |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) |
| collisional activation | |
| spectrum | metastable ions, collisional activation |
| spectrum | collisional activation |
| ion-cyclotron resonance |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Spectrum | benzene | ||
| Absorption maxima | 196 | 1000 | |
| Absorption maxima | hexane | 196 | 8912 |
| UV/VIS | |||
| Spectrum | H2SO4 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With pyridine In dichloromethane at 0 – 20℃; for 18h; | 95% |
| With pyridine In dichloromethane | 95% |
| With dmap In dichloromethane at -10 – 0℃; for 8h; | 87% |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Danger |
| GHS Hazard Statements | H225 (29%): Highly Flammable liquid and vapor [Danger Flammable liquids] H319 (76.86%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (20.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (19.33%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P273, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | This product has a shelf life of less than 12 months in unopened, original containers at temperature between 10-30ºC. |
| HS Code | No data available |
| Storage | This product has a shelf life of less than 12 months in unopened, original containers at temperature between 10-30ºC. |
| Shelf Life | 12 months |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 72.1069 |
| logP | 1.247 |
| HBA | 1 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 9.23 |
| Rotatable Bond (RotB) | 2 |
| Matching Veber Rules | 2 |
| Bioactivity |
| In vitro: Efficacy |
| Quantitative Results |
| pX | Parameter | Value (quant) | Biological Species |
| 2.82 | pIC50(Anesthetic activity) | 2.82 | mouse |
| Quantitative Results | ||
| 1 of 2 | Assay Description | Partition coefficient of the compound in water octanol system was determined |
| Measurement | Partition coefficient | |
| 2 of 2 | Assay Description | Potency of the compound was determined in relation to octanol-water partition coefficient |
| Use Pattern |
| POLY(VINYL ETHYL ETHER) CAS#: 25104-37-4 Volatile |
| POLY(VINYL ETHYL ETHER) CAS#: 25104-37-4 Additive for adhesives. |
| Unstable in the presence of acids |
| Saponification-resistant soft resin for increasing the adhesion and flexibility of printing inks and cellulose nitrate coatings. |
| It is a polyvinylether resin solution that is mainly used as plasticizing soft resins for cellulose nitrate coatings. Its soft-resin character also improves adhesion in these coatings. |
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