Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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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

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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

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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

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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;

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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.)

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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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