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Bis(2-Hydroxypropyl) Ether
CAS: 110-98-5 | C6H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-98-5
- Molecular Formula
- C6H14O3
- Molecular Mass
- 134.17 g/mol
Identifiers
CAS Registry Number
110-98-5
SMILES
CC(O)COCC(C)O
InChI Key
AZUXKVXMJOIAOF-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
Names and Synonyms
- Bis(2-Hydroxypropyl) Ether Synonym
- 2-Propanol, 1,1′-oxybis- Synonym
- 2-Propanol, 1,1′-oxydi- Synonym
- 1,1′-Oxybis[2-propanol] Synonym
- Bis(2-hydroxypropyl) ether Synonym
- 1,1′-Oxydi-2-propanol Synonym
- 1,1′-Dimethyldiethylene glycol Synonym
- NSC 8688 Synonym
- 4-Oxaheptane-2,6-diol Synonym
- 1,1′-Oxybis-2-propanol Synonym
- 1-(2-Hydroxypropoxy)propan-2-ol Synonym
- 1,1′-Oxybis(propan-2-ol) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.17 g/mol | CAS Common Chemistry |
| 134.175 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0252 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 233 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)COCC(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AZUXKVXMJOIAOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -40 °C | CAS Common Chemistry |
| Name | Bis(2-hydroxypropyl) ether | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | -0.2354 | RDKit |
| Molar Refractivity | 34.18059999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 134.094294308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
Related
Related molecules
Other compounds with formula C6H14O3.
