Back to Search
Molecule
Ethyl Formate
CAS: 109-94-4 · C3H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 109-94-4
- Molecular Formula
- C3H6O2
- Molecular Mass
- 74.08 g/mol
Identifiers
CAS Registry Number
109-94-4
SMILES
CCOC=O
InChI Key
WBJINCZRORDGAQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
Names and Synonyms
- Ethyl Formate Synonym
- Formic acid, ethyl ester Synonym
- Areginal Synonym
- Ethyl formate Synonym
- Methanoic acid ethyl ester Synonym
- Ethyl methanoate Synonym
- NSC 406578 Synonym
- NSC 8828 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.08 g/mol | CAS Common Chemistry |
| 74.07900000000001 g/mol | RDKit | |
| 74.079 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9168 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_formate | CAS Common Chemistry |
| Canonical SMILES | O=COCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WBJINCZRORDGAQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -80.5 °C | CAS Common Chemistry |
| Name | Ethyl formate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.17930000000000001 | RDKit |
| 0.1793 | RDKit | |
| Molar Refractivity | 17.689999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 74.036779432 g/mol | RDKit |
| Boiling Point | 54.5 °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
Safety
Found in products
Vendor products containing this compound. Click through to the SDS revision history. Vendor URLs may rot; the linked PDFs are frozen copies retrieved on the listed date.
Convert
Quick conversion
MW = 74.08 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O2.
