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Molecule
Triethyl Orthoformate
CAS: 122-51-0 · C7H16O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 122-51-0
- Molecular Formula
- C7H16O3
- Molecular Mass
- 148.20 g/mol
Identifiers
CAS Registry Number
122-51-0
SMILES
CCOC(OCC)OCC
InChI Key
GKASDNZWUGIAMG-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
Names and Synonyms
- Triethyl Orthoformate Synonym
- Ethane, 1,1′,1′′-[methylidynetris(oxy)]tris- Synonym
- Orthoformic acid, triethyl ester Synonym
- 1,1′,1′′-[Methylidynetris(oxy)]tris[ethane] Synonym
- Aethon Synonym
- Ethyl orthoformate Synonym
- Triethoxymethane Synonym
- Triethyl orthoformate Synonym
- Orthoformic acid ethyl ester Synonym
- Ethone Synonym
- OF Synonym
- OFE (ether) Synonym
- OFE Synonym
- NSC 5289 Synonym
- (Diethoxymethoxy)ethane Synonym
- Triethylorthformate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.20 g/mol | CAS Common Chemistry |
| 148.202 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8858 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethyl_orthoformate | CAS Common Chemistry |
| Boiling Point | 143 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GKASDNZWUGIAMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triethyl orthoformate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.3795 | RDKit |
| Molar Refractivity | 38.666000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 148.109944372 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 148.20 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16O3.
