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2-Butoxyethanol
CAS: 111-76-2 | C6H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-76-2
Molecular Formula:
C6H14O2
Molecular Mass:
118.18 g/mol
Names and Synonyms:
2-Butoxyethanol
Ethanol, 2-butoxy-
2-Butoxyethanol
2-Butoxy-1-ethanol
Butyl Cellosolve
O-Butyl ethylene glycol
Butyl glycol
Dowanol EB
Ethylene glycol monobutyl ether
Gafcol EB
Glycol butyl ether
Glycol monobutyl ether
Monobutyl glycol ether
3-Oxa-1-heptanol
Poly-Solv EB
Butyl Oxitol
Ethylene glycol butyl ether
Ethylene glycol n-butyl ether
β-Butoxyethanol
Butyl Cellu-Sol
Ethylene glycol mono-n-butyl ether
Chimec NR
Ektasolve EB
Butyl monoether glycol
Minex BDH
n-Butyl cellosolve
C4E1
2-n-Butoxyethanol
EGBE
Glycol EB
Butyl Glysolv
Buchiseru
NSC 60759
Eastman EB
Bikanol B 1
K Foam Lo
DB solvent
Butyl icinol
Mearcell 3532
SG
Simple Green
Dabco PM 300
BCS
Monoethyleneglycol butyl ether
R 1171
Identifiers:
SMILES:
CCCCOCCO
InChI:
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
Key Properties
Boiling Point
168.4 °C
CAS Common Chemistry
Melting Point
-74.8 °C
CAS Common Chemistry
Density
0.90 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 | 118.18 g/mol | CAS Common Chemistry |
| 118.17599999999999 g/mol | RDKit | |
| 118.099379688 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9012 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Butoxyethanol | CAS Common Chemistry |
| Boiling Point | 168.4 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=POAOYUHQDCAZBD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -74.8 °C | CAS Common Chemistry |
| Name | 2-Butoxyethanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.7953999999999999 | RDKit |
| Molar Refractivity | 32.81279999999998 | RDKit |
