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Vinyl Acetate
CAS: 108-05-4 | C4H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-05-4
Molecular Formula:
C4H6O2
Molecular Mass:
86.09 g/mol
Names and Synonyms:
Vinyl Acetate
Acetic acid ethenyl ester
Acetic acid vinyl ester
Ethenyl acetate
Vinyl A monomer
Vinyl acetate
1-Acetoxyethylene
Acetoxyethylene
Acetoxyethene
NSC 8404
Acetic acid, ethenyl ester
SN 12T
GC Fuji Varnish
Identifiers:
SMILES:
C=COC(C)=O
InChI:
InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
Key Properties
Boiling Point
72.7 °C
CAS Common Chemistry
Melting Point
-93.2 °C
CAS Common Chemistry
Density
0.93 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 | 86.09 g/mol | CAS Common Chemistry |
| 86.08999999999999 g/mol | RDKit | |
| 86.036779432 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.932 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinyl_acetate | CAS Common Chemistry |
| Boiling Point | 72.7 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XTXRWKRVRITETP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -93.2 °C | CAS Common Chemistry |
| Name | Vinyl acetate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.693 | RDKit |
| Molar Refractivity | 21.962999999999994 | RDKit |
