Back to Search
Molecule
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
Identifiers
CAS Registry Number
112-73-2
SMILES
CCCCOCCOCCOCCCC
InChI Key
KZVBBTZJMSWGTK-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
Names and Synonyms
- Diethylene Glycol Dibutyl Ether Synonym
- Butane, 1,1′-[oxybis(2,1-ethanediyloxy)]bis- Synonym
- Ether, bis(2-butoxyethyl) Synonym
- 1,1′-[Oxybis(2,1-ethanediyloxy)]bis[butane] Synonym
- Bis(2-butoxyethyl) ether Synonym
- 2,2′-Dibutoxyethyl ether Synonym
- Dibutyl Carbitol Synonym
- 5,8,11-Trioxapentadecane Synonym
- Diethylene glycol dibutyl ether Synonym
- 2-Butoxyethyl ether Synonym
- 2-(2-Butoxyethoxy)-1-butoxyethane Synonym
- Butex Synonym
- DBDG Synonym
- Hisolve BDB Synonym
- Butyl diglyme Synonym
- 1-[2-(2-Butoxyethoxy)ethoxy]butane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.34 g/mol | CAS Common Chemistry |
| 218.33699999999993 g/mol | RDKit | |
| 218.337 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8847 g/cm3 @ 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 |
| 2.6364 | RDKit | |
| Molar Refractivity | 62.27300000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 218.188194692 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 218.34 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
