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Glycerol-1,2-Carbonate
CAS: 931-40-8 | C4H6O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
931-40-8
Molecular Formula:
C4H6O4
Molecular Weight:
118.08799999999998 g/mol
Names and Synonyms:
Glycerol-1,2-Carbonate
1,3-Dioxolan-2-one, 4-(hydroxymethyl)-
Carbonic acid, cyclic (hydroxymethyl)ethylene ester
Carbonic acid, (hydroxymethyl)ethylene ester
4-(Hydroxymethyl)-1,3-dioxolan-2-one
Glycerol cyclic 1,2-carbonate
Glycerol carbonate
3-Hydroxypropylene carbonate
Racemic glycerol 1,2-carbonate
Glycerin carbonate
NSC 60535
Jeffsol GC
Glycerol 1,2-carbonate
(2-Oxo-1,3-dioxolan-4-yl)methanol
2-Oxo-1,3-dioxolane-4-methanol
4-Methylolethylene carbonate
Glycerine carbonate
4-Hydroxymethyl-1,3-dioxolane-2-one
3-Hydroxypropene carbonate
Identifiers:
SMILES:
O=C1OCC(CO)O1
InChI:
InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 118.09 g/mol | Legacy Database |
| density | 1.42 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glycerol-1,2-carbonate None | Legacy Database |
| cas-boiling-point | 130 °C @ Press: 0.08 Torr None | Legacy Database |
| cas-canonical-smile | O=C1OCC(O1)CO None | Legacy Database |
| cas-density | 1.42 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JFMGYULNQJPJCY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Glycerol carbonate None | Legacy Database |
| wikipedia-name | Glycerol-1,2-carbonate None | Legacy Database |
| LogP | -0.48590000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.08799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.02660867200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.306799999999992 | RDKit |
