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Molecule
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 Mass
- 118.09 g/mol
Identifiers
CAS Registry Number
931-40-8
SMILES
O=C1OCC(CO)O1
InChI Key
JFMGYULNQJPJCY-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2
Names and Synonyms
- Glycerol-1,2-Carbonate Synonym
- 1,3-Dioxolan-2-one, 4-(hydroxymethyl)- Synonym
- Carbonic acid, cyclic (hydroxymethyl)ethylene ester Synonym
- Carbonic acid, (hydroxymethyl)ethylene ester Synonym
- 4-(Hydroxymethyl)-1,3-dioxolan-2-one Synonym
- Glycerol cyclic 1,2-carbonate Synonym
- Glycerol carbonate Synonym
- 3-Hydroxypropylene carbonate Synonym
- Racemic glycerol 1,2-carbonate Synonym
- Glycerin carbonate Synonym
- NSC 60535 Synonym
- Jeffsol GC Synonym
- Glycerol 1,2-carbonate Synonym
- (2-Oxo-1,3-dioxolan-4-yl)methanol Synonym
- 2-Oxo-1,3-dioxolane-4-methanol Synonym
- 4-Methylolethylene carbonate Synonym
- Glycerine carbonate Synonym
- 4-Hydroxymethyl-1,3-dioxolane-2-one Synonym
- 3-Hydroxypropene carbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.09 g/mol | CAS Common Chemistry |
| 118.08799999999998 g/mol | RDKit | |
| 118.088 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.42 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glycerol-1,2-carbonate | CAS Common Chemistry |
| Canonical SMILES | O=C1OCC(O1)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JFMGYULNQJPJCY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glycerol carbonate | CAS Common Chemistry |
| Glycerol-1,2-carbonate | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
| 55.76 Ų | RDKit | |
| LogP | -0.48590000000000005 | RDKit |
| -0.4859 | RDKit | |
| Molar Refractivity | 23.306799999999992 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 118.02660867200001 g/mol | RDKit |
| Boiling Point | 130 °C @ 0.08 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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 = 118.09 g/mol; density = 1.420 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O4.
