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Diethylene Glycol Dibutyl Ether
CAS: 112-73-2 | C12H26O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-73-2
Molecular Formula:
C12H26O3
Molecular Mass:
218.34 g/mol
Names and Synonyms:
Diethylene Glycol Dibutyl Ether
Butane, 1,1′-[oxybis(2,1-ethanediyloxy)]bis-
Ether, bis(2-butoxyethyl)
1,1′-[Oxybis(2,1-ethanediyloxy)]bis[butane]
Bis(2-butoxyethyl) ether
2,2′-Dibutoxyethyl ether
Dibutyl Carbitol
5,8,11-Trioxapentadecane
Diethylene glycol dibutyl ether
2-Butoxyethyl ether
2-(2-Butoxyethoxy)-1-butoxyethane
Butex
DBDG
Hisolve BDB
Butyl diglyme
1-[2-(2-Butoxyethoxy)ethoxy]butane
Identifiers:
SMILES:
CCCCOCCOCCOCCCC
InChI:
InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
Key Properties
Boiling Point
256 °C
CAS Common Chemistry
Melting Point
-60 °C
CAS Common Chemistry
Density
0.88 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 | 218.34 g/mol | CAS Common Chemistry |
| 218.33699999999993 g/mol | RDKit | |
| 218.188194692 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8847 g/cm3 @ Temp: 16 °C | CAS Common Chemistry | |
| Boiling Point | 256 °C | CAS Common Chemistry |
| Canonical SMILES | O(CCOCCCC)CCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KZVBBTZJMSWGTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -60 °C | CAS Common Chemistry |
| Name | Diethylene glycol dibutyl ether | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.636400000000001 | RDKit |
| Molar Refractivity | 62.27300000000006 | RDKit |
