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Butanediol Divinyl Ether
CAS: 3891-33-6 | C8H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3891-33-6
Molecular Formula:
C8H14O2
Molecular Mass:
142.20 g/mol
Names and Synonyms:
Butanediol Divinyl Ether
Butane, 1,4-bis(ethenyloxy)-
Butane, 1,4-bis(vinyloxy)-
1,4-Bis(ethenyloxy)butane
Butanediol divinyl ether
1,4-Divinyloxybutane
1,4-Bis(vinyloxy)butane
1,4-Butanediol divinyl ether
Rapi-Cure BDVE
NSC 43556
Rapi-Cure DVB 1D
DVB 1D
Butylene glycol divinyl ether
1,4-Butandiol divinyl ether
1,4-Butylene glycol vinyl diether
1,4-Butylene glycol divinyl ether
Identifiers:
SMILES:
C=COCCCCOC=C
InChI:
InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2
Key Properties
Boiling Point
75 °C @ Press: 25 Torr
CAS Common Chemistry
Density
0.90 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 | 142.20 g/mol | CAS Common Chemistry |
| 142.19799999999998 g/mol | RDKit | |
| 142.099379688 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8985 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 75 °C @ Press: 25 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C=C)CCCCOC=C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MWZJGRDWJVHRDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Butanediol divinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.0868 | RDKit |
| Molar Refractivity | 41.53200000000002 | RDKit |
