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Diethylene Glycol Monohexyl Ether
CAS: 112-59-4 | C10H22O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-59-4
Molecular Formula:
C10H22O3
Molecular Mass:
190.28 g/mol
Names and Synonyms:
Diethylene Glycol Monohexyl Ether
Ethanol, 2-[2-(hexyloxy)ethoxy]-
2-[2-(Hexyloxy)ethoxy]ethanol
Diethylene glycol monohexyl ether
n-Hexoxyethoxyethanol
Hexyl Carbitol
Diethylene glycol hexyl ether
3,6-Dioxa-1-dodecanol
Ucar Filmer EHC
DEGHE
NSC 403666
HEDG
Kyowanol HX 20
Hexyl diglycol
2-(2-Hexoxyethoxy)ethanol
Identifiers:
SMILES:
CCCCCCOCCOCCO
InChI:
InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3
Key Properties
Boiling Point
259.1 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-40 °C
CAS Common Chemistry
Density
0.94 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 | 190.28 g/mol | CAS Common Chemistry |
| 190.28299999999996 g/mol | RDKit | |
| 190.156894564 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.935 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 259.1 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GZMAAYIALGURDQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -40 °C | CAS Common Chemistry |
| Name | Diethylene glycol monohexyl ether | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 1.5922 | RDKit |
| Molar Refractivity | 52.86580000000004 | RDKit |
