2,4,6,8-Tetraoxanonane CAS#: 13353-03-2; ChemWhat Code: 138910
Identification
| Product Name | 2,4,6,8-Tetraoxanonane |
| IUPAC Name | methoxy(methoxymethoxymethoxy)methane |
| Molecular Structure |  |
| CAS Registry Number | 13353-03-2 |
| EINECS Number | No data available |
| MDL Number | MFCD26792354 |
| Beilstein Registry Number | No data available |
| Synonyms | bis-methoxymethoxy-methane, triethyleneglycoldimethylether, POMM3, Formaldehyd-bis-methoxymethylacetal, Tris-methylenglykol-dimethylaether, Bis-methoxymethoxy-methan, Trihydroxymethylenglykoldimethylether |
| Molecular Formula | C5H12O4 |
| Molecular Weight | 136.146 |
| InChI | InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3 |
| InChI Key | NYENPQBYHWPGNG-UHFFFAOYSA-N |
| Canonical SMILES | COCOCOCOC |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2020/305414 | AQUEOUS COMPOSITION BASED ON POLYOXYMETHYLENE DIALKYL ETHERS (POM) AND THEIR USE FOR THE PRESERVATION AND/OR EMBALMING OF THE HUMAN OR ANIMAL BODY | 2020 |
| CN110183334 | Novel synthesis method of alkoxymethylamine compound | 2019 |
| WO2010/60048 | PERFLOURINATED POLY(OXYMETHYLENE) COMPOUNDS | 2010 |
Physical Data
| Appearance | Colorless Liquid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C |
| -42 – -40.5 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 79 – 80 | 60 |
| 45 – 47 | 16 |
| 76.3 | 51 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 1.14 | 4 | 25 |
| 1.2 | 4 | -190 |
| 1.24 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.3932 | 589 | 20 |
| 1.3937 | 589 | 20 |
| 1.3914 | 589 | 19.5 |
| 1.3915 | 589 | 25 |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Enthalpy of association | benzene | 25 | 3-methyl-phenol |
| Stability constant of the complex with … | benzene | 25 | 3-methyl-phenol |
| Association with compound |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Spectrum | 1H | d(4)-methanol | 25 | 500.3 |
| Spectrum | 13C | d(4)-methanol | 25 | 125.8 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With La2O3 doped titania at 130℃; under 4500.45 Torr; for 4h; Reagent/catalyst; Pressure; Autoclave; | A 22.4% B 17.5% C 8.4% |
| With macroporous strong acidic styrene type cation exchange resin catalyst at 100℃; under 15001.5 Torr; for 10h; Temperature; Time; Overall yield = 51.66 %; | |
| With Cl -/TiO2-La2O3/SBA-15 (Si/Al=38) at 130℃; under 4500.45 Torr; for 4h; Reagent/catalyst; Temperature; Pressure; |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Class 6.1; Packaging Group: II; UN Number: 2671 |
| Under the room temperature and away from light | |
| HS Code | 290621 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD 45/kg |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 136.148 |
| logP | -0.139 |
| HBA | 4 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 36.92 |
| Rotatable Bond (RotB) | 6 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 2,4,6,8-Tetraoxanonane CAS#: 13353-03-2 used as pharmaceutical intermediates. |
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Approved Manufacturers | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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