(triethoxymethoxy)ethane

• ChemBase ID: 104682
• Molecular Formular: C9H20O4
• Molecular Mass: 192.2527
• Monoisotopic Mass: 192.13615912
• SMILES: CCOC(OCC)(OCC)OCC
• Canonical SMILES: CCOC(OCC)(OCC)OCC
• InChI: InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
• InChIKey: CWLNAJYDRSIKJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (triethoxymethoxy)ethane
• IUPAC Traditional name: (triethoxymethoxy)ethane
• Synonyms: Tetraethyl orthocarbonate; Tetraethoxymethane; (triethoxymethoxy)ethane; TETRAETHYL ORTHOCARBONATE; 原碳酸四乙酯

Database IDs

• CAS Number: 78-09-1
• EC Number: 201-082-2
• MDL Number: MFCD00009221
• Beilstein Number: 1747401
• PubChem SID: 24886851; 162091960; 24849756
• PubChem CID: 66213

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.741825
• LogD (pH = 7.4): 2.741825
• Log P: 2.741825
• Molar Refractivity: 50.5614 cm^3
• Polarizability: 20.111826 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 158-161°C; 159 °C(lit.); 159°C
• Flash Point: 127.4 °F; 52.7°C; 52°C(125°F); 53 °C
• Density: 0.915 g/mL at 20 °C; 0.917; 0.919 g/ml; 0.919 g/mL at 25 °C(lit.)
• Refractive Index: 1.3930; n20/D 1.392; n20/D 1.392(lit.)
• Hydrophobicity(logP): -0.415

Safety Information

• Storage Condition: 2-8°C, Desiccate
• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F)
• UN Number: 1993; 3272; UN3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 3Y
• Risk Statements: 10; R:10
• Safety Statements: S:9-16-29
• EU Hazard Identification Number: 10
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 95%; 97%; 98%; 98+%
• Grade: purum
• Impurities: ≤0.05% water
• Linear Formula: C(OC2H5)4

DETAILS

MP Biomedicals - 02156787

Purity: 98%

Sigma Aldrich - 163627

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 75585

Other Notes
Review1

REFERENCES

• Used to protect the 2,3-diol system of nucleosides: J. Chem. Soc., Chem. Commun., 552 (1969).
• For a review of the chemistry of orthocarbonates, see: Synthesis, 73 (1977).