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Ethylene Carbonate
CAS: 96-49-1 | C3H4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-49-1
Molecular Formula:
C3H4O3
Molecular Mass:
88.06 g/mol
Names and Synonyms:
Ethylene Carbonate
1,3-Dioxolan-2-one
Carbonic acid, cyclic ethylene ester
Cyclic ethylene carbonate
Ethylene carbonate
Ethylene glycol carbonate
Glycol carbonate
Texacar EC
Jeffsol EC
NSC 11801
NSC 16568
2-Oxo-1,3-dioxolane
2-Dioxolanone
JS 1002
PC Dilanon
Identifiers:
SMILES:
O=C1OCCO1
InChI:
InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
Key Properties
Boiling Point
248 °C
CAS Common Chemistry
Melting Point
36.4 °C
CAS Common Chemistry
Density
1.32 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 | 88.06 g/mol | CAS Common Chemistry |
| 88.062 g/mol | RDKit | |
| 88.016043988 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.3214 g/cm3 @ Temp: 39 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylene_carbonate | CAS Common Chemistry |
| Boiling Point | 248 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCO1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KMTRUDSVKNLOMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 36.4 °C | CAS Common Chemistry |
| Name | Ethylene carbonate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.1532 | RDKit |
| Molar Refractivity | 17.299999999999997 | RDKit |
