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Molecule
2-Hexoxyethanol
CAS: 112-25-4 · C8H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-25-4
- Molecular Formula
- C8H18O2
- Molecular Mass
- 146.23 g/mol
Identifiers
CAS Registry Number
112-25-4
SMILES
CCCCCCOCCO
InChI Key
UPGSWASWQBLSKZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
Names and Synonyms
- 2-Hexoxyethanol Systematic Name
- Ethanol, 2-(hexyloxy)- Synonym
- 2-(Hexyloxy)ethanol Synonym
- Ethylene glycol n-hexyl ether Synonym
- Ethylene glycol monohexyl ether Synonym
- Glycol monohexyl ether Synonym
- n-Hexyl Cellosolve Synonym
- Hexyl cellosolve Synonym
- 3-Oxa-1-nonanol Synonym
- Ethylene glycol mono-n-hexyl ether Synonym
- Ethylene glycol hexyl ether Synonym
- Hexyl glycol Synonym
- 2-(Hexyloxy)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.23 g/mol | CAS Common Chemistry |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8894 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Hexoxyethanol | CAS Common Chemistry |
| Canonical SMILES | OCCOCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UPGSWASWQBLSKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -45.1 °C | CAS Common Chemistry |
| Name | Glycol monohexyl ether | CAS Common Chemistry |
| 2-Hexoxyethanol | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.5756 | RDKit |
| Molar Refractivity | 42.04680000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 146.130679816 g/mol | RDKit |
| Boiling Point | 208 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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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Quick conversion
MW = 146.23 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18O2.
