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Diethylene Glycol Monovinyl Ether
CAS: 929-37-3 | C6H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
929-37-3
Molecular Formula:
C6H12O3
Molecular Mass:
132.16 g/mol
Names and Synonyms:
Diethylene Glycol Monovinyl Ether
Ethanol, 2-[2-(ethenyloxy)ethoxy]-
Ethanol, 2-[2-(vinyloxy)ethoxy]-
2-[2-(Ethenyloxy)ethoxy]ethanol
Diethylene glycol monovinyl ether
2-[2-(Vinyloxy)ethoxy]ethanol
NSC 8267
2-(Hydroxyethoxy)ethyl vinyl ether
1-Vinyloxy-5-hydroxy-3-oxapentane
2-(2-Hydroxyethoxy)ethyl vinyl ether
2-(2-Ethenoxyethoxy)ethanol
EM 2241H
Identifiers:
SMILES:
C=COCCOCCO
InChI:
InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2
Key Properties
Boiling Point
78-79 °C @ Press: 2.5 Torr
CAS Common Chemistry
Density
1.03 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 | 132.16 g/mol | CAS Common Chemistry |
| 132.15900000000002 g/mol | RDKit | |
| 132.078644244 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0267 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 78-79 °C @ Press: 2.5 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WULAHPYSGCVQHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethylene glycol monovinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 0.15539999999999993 | RDKit |
| Molar Refractivity | 34.05379999999999 | RDKit |
