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Molecule
Ethylene Carbonate
CAS: 96-49-1 · C3H4O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 96-49-1
- Molecular Formula
- C3H4O3
- Molecular Mass
- 88.06 g/mol
Identifiers
CAS Registry Number
96-49-1
SMILES
O=C1OCCO1
InChI Key
KMTRUDSVKNLOMY-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
Names and Synonyms
- Ethylene Carbonate Common Name
- 1,3-Dioxolan-2-one Synonym
- Carbonic acid, cyclic ethylene ester Synonym
- Cyclic ethylene carbonate Synonym
- Ethylene carbonate Synonym
- Ethylene glycol carbonate Synonym
- Glycol carbonate Synonym
- Texacar EC Synonym
- Jeffsol EC Synonym
- NSC 11801 Synonym
- NSC 16568 Synonym
- 2-Oxo-1,3-dioxolane Synonym
- 2-Dioxolanone Synonym
- JS 1002 Synonym
- PC Dilanon Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.06 g/mol | CAS Common Chemistry |
| 88.062 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.3214 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 88.016043988 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 88.06 g/mol; density = 1.320 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H4O3.
