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Molecule
Ethyl Methyl Carbonate
CAS: 623-53-0 · C4H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 623-53-0
- Molecular Formula
- C4H8O3
- Molecular Mass
- 104.10 g/mol
Identifiers
CAS Registry Number
623-53-0
SMILES
CCOC(=O)OC
InChI Key
JBTWLSYIZRCDFO-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3
Names and Synonyms
- Ethyl Methyl Carbonate Synonym
- Carbonic acid, ethyl methyl ester Synonym
- Ethyl methyl carbonate Synonym
- Methyl ethyl carbonate Synonym
- EMC Synonym
- Ethylene methyl carbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.10 g/mol | CAS Common Chemistry |
| 104.10499999999999 g/mol | RDKit | |
| 104.105 g/mol | RDKit | |
| Boiling Point | 106.5-107 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JBTWLSYIZRCDFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -53.8 °C | CAS Common Chemistry |
| Name | Ethyl methyl carbonate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.7893000000000001 | RDKit |
| 0.7893 | RDKit | |
| Molar Refractivity | 24.030999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 104.047344116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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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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MW = 104.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O3.
