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Trimethyl Orthoformate
CAS: 149-73-5 | C4H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
149-73-5
Molecular Formula:
C4H10O3
Molecular Mass:
106.12 g/mol
Names and Synonyms:
Trimethyl Orthoformate
Methane, trimethoxy-
Orthoformic acid, trimethyl ester
Trimethoxymethane
Methyl orthoformate
Trimethyl orthoformate
Orthoformic acid methyl ester
Methoxymethylal
NSC 147479
Perma-Flo OF
OFM
TMOF
Identifiers:
SMILES:
COC(OC)OC
InChI:
InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3
Key Properties
Boiling Point
100.6 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
15 °C
CAS Common Chemistry
Density
0.97 g/cm³
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 | 106.12 g/mol | CAS Common Chemistry |
| 106.121 g/mol | RDKit | |
| 106.06299418 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9676 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethyl_orthoformate | CAS Common Chemistry |
| Boiling Point | 100.6 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 24.81499999999999 | RDKit |
