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Hydroxyethyl Vinyl Ether
CAS: 764-48-7 | C4H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
764-48-7
Molecular Formula:
C4H8O2
Molecular Mass:
88.11 g/mol
Names and Synonyms:
Hydroxyethyl Vinyl Ether
Ethanol, 2-(ethenyloxy)-
Ethanol, 2-(vinyloxy)-
2-(Ethenyloxy)ethanol
Ethylene glycol vinyl ether
Ethylene glycol monovinyl ether
2-(Vinyloxy)ethanol
2-Hydroxyethyl vinyl ether
Vinyloxyethanol
Monovinyl glycol ether
Hydroxyethyl vinyl ether
2-Vinyloxy-1-ethanol
2-(Ethenyloxy)ethan-1-ol
2-Ethenoxyethanol
Identifiers:
SMILES:
C=COCCO
InChI:
InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2
Key Properties
Boiling Point
141.6 °C
CAS Common Chemistry
Density
0.98 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 | 88.11 g/mol | CAS Common Chemistry |
| 88.106 g/mol | RDKit | |
| 88.052429496 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9821 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 141.6 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOC=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VUIWJRYTWUGOOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydroxyethyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.13879999999999998 | RDKit |
| Molar Refractivity | 23.234799999999993 | RDKit |
