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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
Names and Synonyms:
2-Hexoxyethanol
Ethanol, 2-(hexyloxy)-
2-(Hexyloxy)ethanol
Ethylene glycol n-hexyl ether
Ethylene glycol monohexyl ether
Glycol monohexyl ether
n-Hexyl Cellosolve
Hexyl cellosolve
3-Oxa-1-nonanol
Ethylene glycol mono-n-hexyl ether
Ethylene glycol hexyl ether
Hexyl glycol
2-(Hexyloxy)ethan-1-ol
Identifiers:
SMILES:
CCCCCCOCCO
InChI:
InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
Key Properties
Boiling Point
208 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-45.1 °C
CAS Common Chemistry
Density
0.89 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 | 146.23 g/mol | CAS Common Chemistry |
| 146.130679816 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8894 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Hexoxyethanol | CAS Common Chemistry |
| Boiling Point | 208 °C @ Press: 760 Torr | 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 | RDKit |
