Back to Search
Glycol Dibutyl Ether
CAS: 112-48-1 | C10H22O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-48-1
Molecular Formula:
C10H22O2
Molecular Mass:
174.28 g/mol
Names and Synonyms:
Glycol Dibutyl Ether
Butane, 1-(2-butoxyethoxy)-
Ethane, 1,2-dibutoxy-
Butane, 1,1′-[1,2-ethanediylbis(oxy)]bis-
1-(2-Butoxyethoxy)butane
1,2-Dibutoxyethane
Dibutyl cellosolve
Ethylene glycol dibutyl ether
Dibutyl Oxitol
Glycol dibutyl ether
Identifiers:
SMILES:
CCCCOCCOCCCC
InChI:
InChI=1S/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3
Key Properties
Boiling Point
203.6 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-69 °C
CAS Common Chemistry
Density
0.84 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 | 174.28 g/mol | CAS Common Chemistry |
| 174.28399999999996 g/mol | RDKit | |
| 174.161979944 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.837 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 203.6 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CCOCCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GDXHBFHOEYVPED-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -69 °C | CAS Common Chemistry |
| Name | Glycol dibutyl ether | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.6198000000000006 | RDKit |
| Molar Refractivity | 51.454000000000036 | RDKit |
