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Molecule
Vinyl Acetate
CAS: 108-05-4 · C4H6O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108-05-4
- Molecular Formula
- C4H6O2
- Molecular Mass
- 86.09 g/mol
Identifiers
CAS Registry Number
108-05-4
SMILES
C=COC(C)=O
InChI Key
XTXRWKRVRITETP-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
Names and Synonyms
- Vinyl Acetate Common Name
- Acetic acid ethenyl ester Synonym
- Acetic acid vinyl ester Synonym
- Ethenyl acetate Synonym
- Vinyl A monomer Synonym
- Vinyl acetate Synonym
- 1-Acetoxyethylene Synonym
- Acetoxyethylene Synonym
- Acetoxyethene Synonym
- NSC 8404 Synonym
- Acetic acid, ethenyl ester Synonym
- SN 12T Synonym
- GC Fuji Varnish Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.09 g/mol | CAS Common Chemistry |
| 86.08999999999999 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.932 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 86.036779432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 86.09 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O2.
