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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
Names and Synonyms:
Ethyl Methyl Carbonate
Carbonic acid, ethyl methyl ester
Ethyl methyl carbonate
Methyl ethyl carbonate
EMC
Ethylene methyl carbonate
Identifiers:
SMILES:
CCOC(=O)OC
InChI:
InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3
Key Properties
Boiling Point
106.5-107 °C
CAS Common Chemistry
Melting Point
-53.8 °C
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 | 104.10 g/mol | CAS Common Chemistry |
| 104.10499999999999 g/mol | RDKit | |
| 104.047344116 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 |
| Molar Refractivity | 24.030999999999988 | RDKit |
