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Molecule
Trimethyl Orthoformate
CAS: 149-73-5 · C4H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 149-73-5
- Molecular Formula
- C4H10O3
- Molecular Mass
- 106.12 g/mol
Identifiers
CAS Registry Number
149-73-5
SMILES
COC(OC)OC
InChI Key
PYOKUURKVVELLB-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3
Names and Synonyms
- Trimethyl Orthoformate Synonym
- Methane, trimethoxy- Synonym
- Orthoformic acid, trimethyl ester Synonym
- Trimethoxymethane Synonym
- Methyl orthoformate Synonym
- Trimethyl orthoformate Synonym
- Orthoformic acid methyl ester Synonym
- Methoxymethylal Synonym
- NSC 147479 Synonym
- Perma-Flo OF Synonym
- OFM Synonym
- TMOF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 106.12 g/mol | CAS Common Chemistry |
| 106.121 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9676 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethyl_orthoformate | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PYOKUURKVVELLB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15 °C | CAS Common Chemistry |
| Name | Trimethyl orthoformate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.20920000000000005 | RDKit |
| 0.2092 | RDKit | |
| Molar Refractivity | 24.81499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 106.06299418 g/mol | RDKit |
| Boiling Point | 100.6 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 106.12 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10O3.
