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Molecule
Glycol Dibutyl Ether
CAS: 112-48-1 · C10H22O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112-48-1
- Molecular Formula
- C10H22O2
- Molecular Mass
- 174.28 g/mol
Identifiers
CAS Registry Number
112-48-1
SMILES
CCCCOCCOCCCC
InChI Key
GDXHBFHOEYVPED-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3
Names and Synonyms
- Glycol Dibutyl Ether Common Name
- Butane, 1-(2-butoxyethoxy)- Synonym
- Ethane, 1,2-dibutoxy- Synonym
- Butane, 1,1′-[1,2-ethanediylbis(oxy)]bis- Synonym
- 1-(2-Butoxyethoxy)butane Synonym
- 1,2-Dibutoxyethane Synonym
- Dibutyl cellosolve Synonym
- Ethylene glycol dibutyl ether Synonym
- Dibutyl Oxitol Synonym
- Glycol dibutyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.28 g/mol | CAS Common Chemistry |
| 174.28399999999996 g/mol | RDKit | |
| 174.284 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.837 g/cm3 @ 25 °C | 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 |
| 2.6198 | RDKit | |
| Molar Refractivity | 51.454000000000036 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 174.161979944 g/mol | RDKit |
| Boiling Point | 203.6 °C @ 760 Torr | CAS Common Chemistry |
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
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MW = 174.28 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22O2.
