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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
Names and Synonyms:
Propylene Carbonate
Propylene glycol cyclic carbonate
4-Methyl-2-oxo-1,3-dioxolane
Arconate 5000
4-Methyl-1,3-dioxolane-2-one
Texacar PC
Jeffsol PC
2-Methyl-1,2-ethylene carbonate
Arconate 1000
Arconate HP
PC-HP
NSC 11784
1,3-Dioxolan-2-one, 4-methyl-
Carbonic acid, cyclic propylene ester
Carbonic acid, propylene ester
4-Methyl-1,3-dioxolan-2-one
Propylene carbonate
1,2-Propylene carbonate
1,2-Propanediyl carbonate
1,2-Propanediol carbonate
Carbonic acid cyclic methylethylene ester
Carbonic acid cyclic 1,2-propylene ester
Cyclic methylethylene carbonate
Cyclic propylene carbonate
Cyclic 1,2-propylene carbonate
1-Methylethylene carbonate
1,2-Propanediol cyclic carbonate
NSC 1913
2-Oxo-4-methyl-1,3-dioxolane
Jeffsol AG 1555
Arconate propylenecarbonate
JN 02
Methyl-1,3-dioxolan-2-one
Fluor Solvent
PC Medion
4-Methyl-2-dioxolanone
Jeffsol 1555
Identifiers:
SMILES:
CC1COC(=O)O1
InChI:
InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
Key Properties
Boiling Point
242 °C
CAS Common Chemistry
Melting Point
-48.8 °C
CAS Common Chemistry
Density
1.20 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 | 102.09 g/mol | CAS Common Chemistry |
| 102.08899999999998 g/mol | RDKit | |
| 102.031694052 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 |
| Melting Point | -48.8 °C | 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 |
| Molar Refractivity | 21.89499999999999 | RDKit |
Related Molecules
Other compounds with formula C4H6O3
