2,4,6,8-Tetraoxanonane CAS#: 13353-03-2; 凯望编码 (ChemWhat Code): 138910

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名2,4,6,8-Tetraoxanonane
IUPAC Namemethoxy(methoxymethoxymethoxy)methane
分子结构Structure of 2,4,6,8-Tetraoxanonane CAS 13353-03-2
CAS编号 13353-03-2
EINECS NumberNo data available
MDL NumberMFCD26792354
Beilstein Registry NumberNo data available
别名bis-methoxymethoxy-methane, triethyleneglycoldimethylether, POMM3, Formaldehyd-bis-methoxymethylacetal, Tris-methylenglykol-dimethylaether, Bis-methoxymethoxy-methan, Trihydroxymethylenglykoldimethylether
分子式C5H12O4
分子量136.146
InChIInChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3
InChI KeyNYENPQBYHWPGNG-UHFFFAOYSA-N
Canonical SMILESCOCOCOCOC
Patent Information
Patent IDTitlePublication Date
US2020/305414AQUEOUS COMPOSITION BASED ON POLYOXYMETHYLENE DIALKYL ETHERS (POM) AND THEIR USE FOR THE PRESERVATION AND/OR EMBALMING OF THE HUMAN OR ANIMAL BODY2020
CN110183334Novel synthesis method of alkoxymethylamine compound2019
WO2010/60048PERFLOURINATED POLY(OXYMETHYLENE) COMPOUNDS2010

Physical Data

AppearanceColorless Liquid
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting Point, °C
-42 – -40.5
Boiling Point, °CPressure (Boiling Point), Torr
79 – 8060
45 – 4716
76.351
Density, g·cm-3Reference Temperature, °CMeasurement Temperature, °C
1.14425
1.24-190
1.24
Refractive IndexWavelength (Refractive Index), nmTemperature (Refractive Index), °C
1.393258920
1.393758920
1.391458919.5
1.391558925
Description (Association (MCS))Solvent (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))
Enthalpy of associationbenzene253-methyl-phenol
Stability constant of the complex with … benzene253-methyl-phenol
Association with compound

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Spectrum1Hd(4)-methanol25500.3
Spectrum13Cd(4)-methanol25125.8

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 2,4,6,8-Tetraoxanonane CAS 13353-03-2
Route of Synthesis (ROS) of 2,4,6,8-Tetraoxanonane CAS 13353-03-2
ConditionsYield
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)flame
SignalWarning
GHS Hazard StatementsH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP210, 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

TransportationClass 6.1; Packaging Group: II; UN Number: 2671
Under the room temperature and away from light
HS Code290621
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD 45/kg
Druglikeness
Lipinski rules component
分子量136.148
logP-0.139
HBA4
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)36.92
Rotatable Bond (RotB)6
Matching Veber Rules2
Use Pattern
2,4,6,8-Tetraoxanonane CAS#: 13353-03-2 used as pharmaceutical intermediates.

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