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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 Weight:
118.17599999999999 g/mol
Names and Synonyms:
2-Butoxyethanol
R 1171
Monoethyleneglycol butyl ether
BCS
Dabco PM 300
Simple Green
SG
Mearcell 3532
Butyl icinol
DB solvent
K Foam Lo
Bikanol B 1
Eastman EB
NSC 60759
Buchiseru
Butyl Glysolv
Glycol EB
EGBE
2-n-Butoxyethanol
C4E1
n-Butyl cellosolve
Minex BDH
Butyl monoether glycol
Ektasolve EB
Chimec NR
Ethylene glycol mono-n-butyl ether
Butyl Cellu-Sol
β-Butoxyethanol
Ethylene glycol n-butyl ether
Ethylene glycol butyl ether
Butyl Oxitol
Poly-Solv EB
3-Oxa-1-heptanol
Monobutyl glycol ether
Glycol monobutyl ether
Glycol butyl ether
Gafcol EB
Ethylene glycol monobutyl ether
Dowanol EB
Butyl glycol
O-Butyl ethylene glycol
Butyl Cellosolve
2-Butoxy-1-ethanol
2-Butoxyethanol
Ethanol, 2-butoxy-
Identifiers:
SMILES:
CCCCOCCO
InChI:
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.17599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.099379688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.7953999999999999 | RDKit |
| density | 0.90 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Butoxyethanol None | Legacy Database |
| cas-boiling-point | 168.4 °C None | Legacy Database |
| cas-canonical-smile | OCCOCCCC None | Legacy Database |
| cas-density | 0.9012 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=POAOYUHQDCAZBD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -74.8 °C None | Legacy Database |
| cas-name | 2-Butoxyethanol None | Legacy Database |
| wikipedia-name | 2-Butoxyethanol None | Legacy Database |
| molecular_mass | 118.18 g/mol | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.81279999999998 | RDKit |
