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Molecule
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
Identifiers
CAS Registry Number
111-76-2
SMILES
CCCCOCCO
InChI Key
POAOYUHQDCAZBD-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
Names and Synonyms
- 2-Butoxyethanol Systematic Name
- Ethanol, 2-butoxy- Synonym
- 2-Butoxyethanol Synonym
- 2-Butoxy-1-ethanol Synonym
- Butyl Cellosolve Synonym
- O-Butyl ethylene glycol Synonym
- Butyl glycol Synonym
- Dowanol EB Synonym
- Ethylene glycol monobutyl ether Synonym
- Gafcol EB Synonym
- Glycol butyl ether Synonym
- Glycol monobutyl ether Synonym
- Monobutyl glycol ether Synonym
- 3-Oxa-1-heptanol Synonym
- Poly-Solv EB Synonym
- Butyl Oxitol Synonym
- Ethylene glycol butyl ether Synonym
- Ethylene glycol n-butyl ether Synonym
- β-Butoxyethanol Synonym
- Butyl Cellu-Sol Synonym
- Ethylene glycol mono-n-butyl ether Synonym
- Chimec NR Synonym
- Ektasolve EB Synonym
- Butyl monoether glycol Synonym
- Minex BDH Synonym
- n-Butyl cellosolve Synonym
- C4E1 Synonym
- 2-n-Butoxyethanol Synonym
- EGBE Synonym
- Glycol EB Synonym
- Butyl Glysolv Synonym
- Buchiseru Synonym
- NSC 60759 Synonym
- Eastman EB Synonym
- Bikanol B 1 Synonym
- K Foam Lo Synonym
- DB solvent Synonym
- Butyl icinol Synonym
- Mearcell 3532 Synonym
- SG Synonym
- Simple Green Synonym
- Dabco PM 300 Synonym
- BCS Synonym
- Monoethyleneglycol butyl ether Synonym
- R 1171 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.18 g/mol | CAS Common Chemistry |
| 118.17599999999999 g/mol | RDKit | |
| 118.176 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9012 g/cm3 @ 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 |
| 0.7954 | RDKit | |
| Molar Refractivity | 32.81279999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 118.099379688 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
Safety
Found in products
Vendor products containing this compound. Click through to the SDS revision history. Vendor URLs may rot; the linked PDFs are frozen copies retrieved on the listed date.
Convert
Quick conversion
MW = 118.18 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O2.
