Back to Search
Tetraethoxymethane
CAS: 78-09-1 | C9H20O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-09-1
Molecular Formula:
C9H20O4
Molecular Mass:
192.26 g/mol
Names and Synonyms:
Tetraethoxymethane
Ethane, 1,1′,1′′,1′′′-[methanetetrayltetrakis(oxy)]tetrakis-
Orthocarbonic acid, tetraethyl ester
1,1′,1′′,1′′′-[Methanetetrayltetrakis(oxy)]tetrakis[ethane]
Tetraethoxymethane
Tetraethyl orthocarbonate
NSC 28574
(Triethoxymethoxy)ethane
Identifiers:
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
Key Properties
Boiling Point
159.5 °C
CAS Common Chemistry
Melting Point
222 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.26 g/mol | CAS Common Chemistry |
| 192.25499999999997 g/mol | RDKit | |
| 192.13615912 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraethoxymethane | CAS Common Chemistry |
| Boiling Point | 159.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CWLNAJYDRSIKJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222 °C | CAS Common Chemistry |
| Name | Tetraethyl orthocarbonate | CAS Common Chemistry |
| Tetraethoxymethane | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 1.7437 | RDKit |
| Molar Refractivity | 49.235000000000035 | RDKit |
