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Hexaethylene Glycol
CAS: 2615-15-8 | C12H26O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2615-15-8
Molecular Formula:
C12H26O7
Molecular Mass:
282.33 g/mol
Names and Synonyms:
Hexaethylene Glycol
3,6,9,12,15-Pentaoxaheptadecane-1,17-diol
Hexaethylene glycol
Hexaoxyethylene glycol
Ethanol, 2,2′-[oxybis(oxy-2,1-ethanediyloxy-2,1-ethanediyloxy)]bis-
Hexagol
NSC 201209
2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
OCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
Key Properties
Boiling Point
217 °C
CAS Common Chemistry
Melting Point
5-7 °C
CAS Common Chemistry
Density
1.09 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 | 282.33 g/mol | CAS Common Chemistry |
| 282.33299999999997 g/mol | RDKit | |
| 282.16785317200004 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0948 g/cm3 @ Temp: 60 °C | CAS Common Chemistry | |
| Boiling Point | 217 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IIRDTKBZINWQAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5-7 °C | CAS Common Chemistry |
| Name | Hexaethylene glycol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.61000000000001 Ų | RDKit |
| LogP | -0.9459999999999973 | RDKit |
| Molar Refractivity | 68.26660000000005 | RDKit |
