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Molecule
Propylene Carbonate
CAS: 108-32-7 · C4H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 108-32-7
- Molecular Formula
- C4H6O3
- Molecular Mass
- 102.09 g/mol
Identifiers
CAS Registry Number
108-32-7
SMILES
CC1COC(=O)O1
InChI Key
RUOJZAUFBMNUDX-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
Names and Synonyms
- Propylene Carbonate Common Name
- Propylene glycol cyclic carbonate Synonym
- 4-Methyl-2-oxo-1,3-dioxolane Synonym
- Arconate 5000 Synonym
- 4-Methyl-1,3-dioxolane-2-one Synonym
- Texacar PC Synonym
- Jeffsol PC Synonym
- 2-Methyl-1,2-ethylene carbonate Synonym
- Arconate 1000 Synonym
- Arconate HP Synonym
- PC-HP Synonym
- NSC 11784 Synonym
- 1,3-Dioxolan-2-one, 4-methyl- Synonym
- Carbonic acid, cyclic propylene ester Synonym
- Carbonic acid, propylene ester Synonym
- 4-Methyl-1,3-dioxolan-2-one Synonym
- Propylene carbonate Synonym
- 1,2-Propylene carbonate Synonym
- 1,2-Propanediyl carbonate Synonym
- 1,2-Propanediol carbonate Synonym
- Carbonic acid cyclic methylethylene ester Synonym
- Carbonic acid cyclic 1,2-propylene ester Synonym
- Cyclic methylethylene carbonate Synonym
- Cyclic propylene carbonate Synonym
- Cyclic 1,2-propylene carbonate Synonym
- 1-Methylethylene carbonate Synonym
- 1,2-Propanediol cyclic carbonate Synonym
- NSC 1913 Synonym
- 2-Oxo-4-methyl-1,3-dioxolane Synonym
- Jeffsol AG 1555 Synonym
- Arconate propylenecarbonate Synonym
- JN 02 Synonym
- Methyl-1,3-dioxolan-2-one Synonym
- Fluor Solvent Synonym
- PC Medion Synonym
- 4-Methyl-2-dioxolanone Synonym
- Jeffsol 1555 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | -48.8 °C | CAS Common Chemistry |
| Molecular Mass | 102.09 g/mol | CAS Common Chemistry |
| 102.08899999999998 g/mol | RDKit | |
| 102.089 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.2047 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propylene_carbonate | CAS Common Chemistry |
| Boiling Point | 242 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OCC(O1)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RUOJZAUFBMNUDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propylene carbonate | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 0.5417000000000001 | RDKit |
| 0.5417 | RDKit | |
| Molar Refractivity | 21.89499999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 102.031694052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 102.09 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O3.
