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Glycerol Triglycidyl Ether
CAS: 13236-02-7 | C12H20O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13236-02-7
Molecular Formula:
C12H20O6
Molecular Mass:
260.29 g/mol
Names and Synonyms:
Glycerol Triglycidyl Ether
Oxirane, 2,2′,2′′-[1,2,3-propanetriyltris(oxymethylene)]tris-
Propane, 1,2,3-tris(2,3-epoxypropoxy)-
2,2′,2′′-[1,2,3-Propanetriyltris(oxymethylene)]tris[oxirane]
Glycerin triglycidyl ether
O,O′,O′′-Tris(β,γ-epoxypropyl)glycerol
Tri-O-glycidylglycerol
Glycerol tris(2,3-epoxypropyl) ether
Glycerol triglycidyl ether
T 55
1,2,3-Tris(glycidyloxy)propane
1,2,3-Tris(2,3-epoxypropoxy)propane
Identifiers:
SMILES:
C(OCC1CO1)C(COCC1CO1)OCC1CO1
InChI:
InChI=1S/C12H20O6/c1(13-3-10-5-16-10)9(15-7-12-8-18-12)2-14-4-11-6-17-11/h9-12H,1-8H2
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 | 260.29 g/mol | CAS Common Chemistry |
| 260.28599999999994 g/mol | RDKit | |
| 260.12598836 g/mol | RDKit | |
| Canonical SMILES | O(CC(OCC1OC1)COCC2OC2)CC3OC3 | CAS Common Chemistry |
| InChI | InChI=1S/C12H20O6/c1(13-3-10-5-16-10)9(15-7-12-8-18-12)2-14-4-11-6-17-11/h9-12H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SYEWHONLFGZGLK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glycerol triglycidyl ether | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.28 Ų | RDKit |
| LogP | -0.39879999999999916 | RDKit |
| Molar Refractivity | 60.59800000000005 | RDKit |
