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Molecule
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
Identifiers
CAS Registry Number
112-59-4
SMILES
CCCCCCOCCOCCO
InChI Key
GZMAAYIALGURDQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3
Names and Synonyms
- Diethylene Glycol Monohexyl Ether Common Name
- Ethanol, 2-[2-(hexyloxy)ethoxy]- Synonym
- 2-[2-(Hexyloxy)ethoxy]ethanol Synonym
- Diethylene glycol monohexyl ether Synonym
- n-Hexoxyethoxyethanol Synonym
- Hexyl Carbitol Synonym
- Diethylene glycol hexyl ether Synonym
- 3,6-Dioxa-1-dodecanol Synonym
- Ucar Filmer EHC Synonym
- DEGHE Synonym
- NSC 403666 Synonym
- HEDG Synonym
- Kyowanol HX 20 Synonym
- Hexyl diglycol Synonym
- 2-(2-Hexoxyethoxy)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.28 g/mol | CAS Common Chemistry |
| 190.28299999999996 g/mol | RDKit | |
| 190.283 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.935 g/cm3 @ 25 °C | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 190.156894564 g/mol | RDKit |
| Boiling Point | 259.1 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 190.28 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22O3.
