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4-Hydroxybutyl Vinyl Ether
CAS: 17832-28-9 | C6H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17832-28-9
Molecular Formula:
C6H12O2
Molecular Mass:
116.16 g/mol
Names and Synonyms:
4-Hydroxybutyl Vinyl Ether
1-Butanol, 4-(ethenyloxy)-
1-Butanol, 4-(vinyloxy)-
4-(Ethenyloxy)-1-butanol
4-Hydroxybutyl vinyl ether
4-(Vinyloxy)-1-butanol
1,4-Butanediol monovinyl ether
Rapi-Cure HBVE
Tetramethylene glycol monovinyl ether
4-(Vinyloxy)butanol
HBVE
NECO 100
Identifiers:
SMILES:
C=COCCCCO
InChI:
InChI=1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2
Key Properties
Boiling Point
83-85 °C @ Press: 15 Torr
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 | 116.16 g/mol | CAS Common Chemistry |
| 116.083729624 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9448 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 83-85 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCCOC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HMBNQNDUEFFFNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Hydroxybutyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.9189999999999998 | RDKit |
| Molar Refractivity | 32.46879999999999 | RDKit |
